data_BiMo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiMo2As
_chemical_formula_sum   'Bi1 Mo2 As1'
_cell_volume   96.99
_cell_formula_units_Z   1
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
  Bi  Bi1  1  0.61  0.61  0.9  1.0
  Mo  Mo2  1  0.0  0.0  0.59  1.0
  Mo  Mo3  1  0.61  0.61  0.01  1.0
  As  As0  1  0.0  0.0  0.45  1.0

data_BiMo2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiMo2As
_chemical_formula_sum   'Bi2 Mo4 As2'
_cell_volume   193.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Bi  Bi0  2  0.11  0.5  0.9  1.0
  Mo  Mo1  2  0.0  0.0  0.59  1.0
  Mo  Mo2  2  0.11  0.5  0.01  1.0
  As  As3  2  0.0  0.0  0.45  1.0

Bi Mo Mo As