data_Sr2IrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2IrSe
_chemical_formula_sum   'Sr2 Ir1 Se1'
_cell_volume   118.78
_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
  Sr  Sr2  1  0.02  0.0  0.0  1.0
  Sr  Sr3  1  0.0  0.0  0.14  1.0
  Ir  Ir0  1  0.02  0.0  0.14  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Sr2IrSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sr2IrSe
_chemical_formula_sum   'Sr2 Ir1 Se1'
_cell_volume   118.84
_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
  Sr  Sr0  1  0.0  0.0  0.14  1.0
  Sr  Sr1  1  0.02  0.0  0.0  1.0
  Ir  Ir2  1  0.02  0.0  0.14  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Sr Sr Ir Se