# generated using pymatgen
data_BMo2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.90755537
_cell_length_b   8.90755537
_cell_length_c   3.07699800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   159.85747700
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BMo2C
_chemical_formula_sum   'B2 Mo4 C2'
_cell_volume   84.07224434
_cell_formula_units_Z   2
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  0.52794700  0.47205300  0.75000000  1.0
  B  B1  1  0.47205300  0.52794700  0.25000000  1.0
  Mo  Mo2  1  0.31454000  0.68546100  0.25000000  1.0
  Mo  Mo3  1  0.68546100  0.31453900  0.75000000  1.0
  Mo  Mo4  1  0.07188800  0.92811200  0.25000000  1.0
  Mo  Mo5  1  0.92811200  0.07188800  0.75000000  1.0
  C  C6  1  0.80877800  0.19122200  0.75000000  1.0
  C  C7  1  0.19122200  0.80877800  0.25000000  1.0