data_SbMo2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   4.25
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   104.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMo2Ir
_chemical_formula_sum   'Sb1 Mo2 Ir1'
_cell_volume   67.27
_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
  Sb  Sb3  1  0.15  0.0  0.64  1.0
  Mo  Mo1  1  0.77  0.0  0.34  1.0
  Mo  Mo2  1  0.61  0.12  0.42  1.0
  Ir  Ir0  1  0.21  0.12  0.24  1.0

data_SbMo2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.25
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   104.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbMo2Ir
_chemical_formula_sum   'Sb1 Mo2 Ir1'
_cell_volume   67.27
_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
  Sb  Sb0  1  0.15  0.0  0.64  1.0
  Mo  Mo1  1  0.61  0.12  0.42  1.0
  Mo  Mo2  1  0.77  0.0  0.34  1.0
  Ir  Ir3  1  0.21  0.12  0.24  1.0

Sb Mo Mo Ir