data_ZrCrIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.45
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   94.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrIr2
_chemical_formula_sum   'Zr1 Cr1 Ir2'
_cell_volume   63.3
_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
  Zr  Zr3  1  0.02  0.23  0.21  1.0
  Cr  Cr0  1  0.5  0.0  0.14  1.0
  Ir  Ir1  1  0.18  0.23  0.62  1.0
  Ir  Ir2  1  0.44  0.0  0.39  1.0

data_ZrCrIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.45
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   94.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrIr2
_chemical_formula_sum   'Zr1 Cr1 Ir2'
_cell_volume   63.3
_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
  Zr  Zr0  1  0.02  0.23  0.21  1.0
  Cr  Cr1  1  0.5  0.0  0.14  1.0
  Ir  Ir2  1  0.18  0.23  0.62  1.0
  Ir  Ir3  1  0.44  0.0  0.39  1.0

Zr Cr Ir Ir