data_Zn2AsIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.73
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   95.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2AsIr
_chemical_formula_sum   'Zn2 As1 Ir1'
_cell_volume   62.85
_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  0.99  0.37  0.32  1.0
  Zn  Zn3  1  0.55  0.37  0.18  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.27  0.0  0.25  1.0

data_Zn2AsIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.52
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2AsIr
_chemical_formula_sum   'Zn2 As1 Ir1'
_cell_volume   62.85
_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  0.01  0.68  0.63  1.0
  Zn  Zn1  1  0.45  0.82  0.63  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.73  0.75  0.0  1.0

Zn Zn As Ir