data_CuAg2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAg2Ir
_chemical_formula_sum   'Cu1 Ag2 Ir1'
_cell_volume   62.9
_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  Cu2  1  0.0  0.0  0.67  1.0
  Ag  Ag0  1  0.0  0.0  0.04  1.0
  Ag  Ag1  1  0.41  0.0  0.95  1.0
  Ir  Ir3  1  0.41  0.0  0.53  1.0

data_CuAg2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.75
_cell_length_b   4.84
_cell_length_c   9.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuAg2Ir
_chemical_formula_sum   'Cu2 Ag4 Ir2'
_cell_volume   125.85
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.67  1.0
  Ag  Ag1  2  0.0  0.0  0.04  1.0
  Ag  Ag2  2  0.41  0.0  0.95  1.0
  Ir  Ir3  2  0.41  0.0  0.53  1.0

Cu Ag Ag Ir
Cu Ag Ag Ir 0 3 o o o 1 2 o o - 