# generated using pymatgen
data_CrB3Mo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77996810
_cell_length_b   6.77996803
_cell_length_c   6.77996837
_cell_angle_alpha   129.83897422
_cell_angle_beta   129.83897660
_cell_angle_gamma   73.66431863
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrB3Mo4
_chemical_formula_sum   'Cr2 B6 Mo8'
_cell_volume   179.29019056
_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
  Cr  Cr0  1  0.50000000  0.50000000  0.00000000  1.0
  Cr  Cr1  1  0.00000000  0.00000000  0.00000000  1.0
  B  B2  1  0.38021387  0.88021387  0.26042675  1.0
  B  B3  1  0.88021387  0.61978613  0.50000000  1.0
  B  B4  1  0.11978613  0.38021387  0.50000000  1.0
  B  B5  1  0.61978613  0.11978613  0.73957325  1.0
  B  B6  1  0.25000000  0.25000000  0.00000000  1.0
  B  B7  1  0.75000000  0.75000000  0.00000000  1.0
  Mo  Mo8  1  0.68526885  0.18526885  0.15734772  1.0
  Mo  Mo9  1  0.97207887  0.47207887  0.15734772  1.0
  Mo  Mo10  1  0.02792113  0.52792113  0.84265228  1.0
  Mo  Mo11  1  0.52792113  0.68526885  0.50000000  1.0
  Mo  Mo12  1  0.18526885  0.02792113  0.50000000  1.0
  Mo  Mo13  1  0.47207887  0.31473115  0.50000000  1.0
  Mo  Mo14  1  0.81473115  0.97207887  0.50000000  1.0
  Mo  Mo15  1  0.31473115  0.81473115  0.84265228  1.0