data_SiIrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.17
_cell_length_c   2.91
_cell_angle_alpha   76.68
_cell_angle_beta   76.04
_cell_angle_gamma   27.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiIrSe
_chemical_formula_sum   'Si1 Ir1 Se1'
_cell_volume   49.47
_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
  Si  Si2  1  0.04  0.09  0.44  1.0
  Ir  Ir0  1  0.04  0.09  0.22  1.0
  Se  Se1  1  0.04  0.09  0.99  1.0

data_SiIrSe
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.91
_cell_length_b   11.65
_cell_length_c   2.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   SiIrSe
_chemical_formula_sum   'Si2 Ir2 Se2'
_cell_volume   98.97
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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
  Si  Si0  2  0.0  0.0  0.53  1.0
  Ir  Ir1  2  0.0  0.0  0.74  1.0
  Se  Se2  2  0.0  0.0  0.97  1.0

Si Ir Se