data_BiMo2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiMo2Ir
_chemical_formula_sum   'Bi1 Mo2 Ir1'
_cell_volume   70.47
_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  Bi0  1  0.7  0.0  0.0  1.0
  Mo  Mo2  1  0.35  0.19  0.49  1.0
  Mo  Mo3  1  0.35  0.81  0.49  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0

data_BiMo2Ir
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.14
_cell_length_b   2.99
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   116.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BiMo2Ir
_chemical_formula_sum   'Bi1 Mo2 Ir1'
_cell_volume   70.47
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Bi0  1  0.7  0.0  0.0  1.0
  Mo  Mo1  1  0.35  0.5  0.19  1.0
  Mo  Mo2  1  0.35  0.5  0.81  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0

Bi Mo Mo Ir