data_[B8Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.0235]
_cell_length_b [3.0235]
_cell_length_c [13.9816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [B2Mo]
_chemical_formula_sum '[B8 Mo4]'
_cell_volume [110.6902]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  B  B0  4  0.3333  0.6667  0.0226  1.0
  B  B1  2  0.0000  0.0000  0.2500  1.0
  B  B2  2  0.3333  0.6667  0.2500  1.0
  Mo  Mo3  4  0.3333  0.6667  0.6362  1.0
]