data_SbIr2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   4.12
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   91.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbIr2Se
_chemical_formula_sum   'Sb1 Ir2 Se1'
_cell_volume   89.56
_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  Sb2  1  0.26  0.06  0.28  1.0
  Ir  Ir0  1  0.37  0.06  0.09  1.0
  Ir  Ir1  1  0.32  0.0  0.97  1.0
  Se  Se3  1  0.54  0.0  0.79  1.0

data_SbIr2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   4.12
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   91.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbIr2Se
_chemical_formula_sum   'Sb1 Ir2 Se1'
_cell_volume   89.56
_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  0.26  0.06  0.28  1.0
  Ir  Ir1  1  0.32  0.0  0.97  1.0
  Ir  Ir2  1  0.37  0.06  0.09  1.0
  Se  Se3  1  0.54  0.0  0.79  1.0

Sb Ir Ir Se