data_ZnCoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.61
_cell_length_c   2.65
_cell_angle_alpha   83.76
_cell_angle_beta   73.57
_cell_angle_gamma   22.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCoIr
_chemical_formula_sum   'Zn1 Co1 Ir1'
_cell_volume   40.47
_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
  Zn  Zn2  1  0.38  0.27  0.37  1.0
  Co  Co0  1  0.38  0.27  0.91  1.0
  Ir  Ir1  1  0.38  0.27  0.57  1.0

data_ZnCoIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.76
_cell_length_b   12.92
_cell_length_c   2.65
_cell_angle_alpha   90.0
_cell_angle_beta   121.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnCoIr
_chemical_formula_sum   'Zn2 Co2 Ir2'
_cell_volume   80.94
_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
  Zn  Zn0  2  0.37  0.0  0.75  1.0
  Co  Co1  2  0.41  0.5  0.29  1.0
  Ir  Ir2  2  0.07  0.5  0.95  1.0

Zn Co Ir