# generated using pymatgen
data_B4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51587982
_cell_length_b   5.51587982
_cell_length_c   5.16740700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999788
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B4Mo
_chemical_formula_sum   'B12 Mo3'
_cell_volume   136.15478260
_cell_formula_units_Z   3
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  1  0.65992000  0.00000000  0.28546600  1.0
  B  B1  1  0.00000000  0.65992000  0.28546600  1.0
  B  B2  1  0.34008000  0.34008000  0.28546600  1.0
  B  B3  1  0.00000000  0.34008000  0.28546600  1.0
  B  B4  1  0.34008000  0.00000000  0.28546600  1.0
  B  B5  1  0.65992000  0.65992000  0.28546600  1.0
  B  B6  1  0.00000000  0.34008000  0.71453400  1.0
  B  B7  1  0.65992000  0.65992000  0.71453400  1.0
  B  B8  1  0.34008000  0.00000000  0.71453400  1.0
  B  B9  1  0.65992000  0.00000000  0.71453400  1.0
  B  B10  1  0.34008000  0.34008000  0.71453400  1.0
  B  B11  1  0.00000000  0.65992000  0.71453400  1.0
  Mo  Mo12  1  0.66666700  0.33333300  0.00000000  1.0
  Mo  Mo13  1  0.00000000  0.00000000  0.50000000  1.0
  Mo  Mo14  1  0.33333300  0.66666700  0.00000000  1.0