data_Cu2SbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.65
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SbIr
_chemical_formula_sum   'Cu2 Sb1 Ir1'
_cell_volume   61.64
_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  0.03  0.83  0.17  1.0
  Cu  Cu1  1  0.57  0.0  0.24  1.0
  Sb  Sb3  1  0.53  0.0  0.0  1.0
  Ir  Ir2  1  0.08  0.83  0.72  1.0

data_Cu2SbIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.65
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SbIr
_chemical_formula_sum   'Cu2 Sb1 Ir1'
_cell_volume   61.64
_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  0.03  0.83  0.17  1.0
  Cu  Cu1  1  0.57  0.0  0.24  1.0
  Sb  Sb2  1  0.53  0.0  0.0  1.0
  Ir  Ir3  1  0.08  0.83  0.72  1.0

Cu Cu Sb Ir
Cu Cu Sb Ir 0 2 - + o 0 2 o + o 0 1 - + o 0 1 o + o 0 3 o o - 1 2 o o o 2 3 + - - 2 3 o - - 