# CRYSTAL DATA

data_VESTA_phase_1


_pd_phase_name                         'EA524   3.023  3.120  3.035 95.379 81.'
_cell_length_a                         2.89266
_cell_length_b                         2.88649
_cell_length_c                         3.16749
_cell_angle_alpha                      90.01080
_cell_angle_beta                       90.01259
_cell_angle_gamma                      119.93317
_symmetry_space_group_name_H-M         'P 1'
_symmetry_Int_Tables_number            1

loop_
_symmetry_equiv_pos_as_xyz
   'x, y, z'

loop_
   _atom_site_label
   _atom_site_occupancy
   _atom_site_fract_x
   _atom_site_fract_y
   _atom_site_fract_z
   _atom_site_adp_type
   _atom_site_B_iso_or_equiv
   _atom_site_type_symbol
   Mg1        1.0     0.362651      0.963327      0.661328     Biso  1.000000 Mg
   B1         1.0     0.695084      0.629405      0.161379     Biso  1.000000 B
   B2         1.0     0.030339      0.297334      0.161301     Biso  1.000000 B