data_Zn2CoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   145.48
_cell_angle_beta   127.97
_cell_angle_gamma   63.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CoIr
_chemical_formula_sum   'Zn2 Co1 Ir1'
_cell_volume   53.05
_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  0.46  0.0  0.01  1.0
  Zn  Zn3  1  0.0  0.16  0.18  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.19  1.0

data_Zn2CoIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.33
_cell_length_c   4.93
_cell_angle_alpha   116.02
_cell_angle_beta   107.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CoIr
_chemical_formula_sum   'Zn2 Co1 Ir1'
_cell_volume   53.05
_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  Zn0  1  0.0  0.01  0.55  1.0
  Zn  Zn1  1  0.84  0.01  0.01  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.19  0.19  1.0

Zn Zn Co Ir