data_Cu2IrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   4.27
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   91.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2IrSe
_chemical_formula_sum   'Cu2 Ir1 Se1'
_cell_volume   57.74
_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
  Cu  Cu0  1  0.5  0.14  0.54  1.0
  Cu  Cu1  1  0.47  0.0  0.3  1.0
  Ir  Ir2  1  0.04  0.14  0.2  1.0
  Se  Se3  1  0.07  0.0  0.46  1.0

data_Cu2IrSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.27
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   91.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2IrSe
_chemical_formula_sum   'Cu2 Ir1 Se1'
_cell_volume   57.74
_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
  Cu  Cu0  1  0.47  0.0  0.3  1.0
  Cu  Cu1  1  0.5  0.14  0.54  1.0
  Ir  Ir2  1  0.04  0.14  0.2  1.0
  Se  Se3  1  0.07  0.0  0.46  1.0

Cu Cu Ir Se