data_SbIrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   6.54
_cell_angle_alpha   153.26
_cell_angle_beta   149.67
_cell_angle_gamma   40.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbIrSe
_chemical_formula_sum   'Sb1 Ir1 Se1'
_cell_volume   63.53
_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  Sb1  1  0.0  0.0  0.5  1.0
  Ir  Ir0  1  0.0  0.0  0.11  1.0
  Se  Se2  1  0.0  0.0  0.66  1.0

data_SbIrSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.42
_cell_length_c   6.54
_cell_angle_alpha   105.16
_cell_angle_beta   103.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbIrSe
_chemical_formula_sum   'Sb1 Ir1 Se1'
_cell_volume   63.53
_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  0.0  0.5  0.5  1.0
  Ir  Ir1  1  0.0  0.11  0.11  1.0
  Se  Se2  1  0.0  0.66  0.66  1.0

Sb Ir Se