data_ZrCu2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.15
_cell_angle_alpha   113.6
_cell_angle_beta   113.6
_cell_angle_gamma   43.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu2Ir
_chemical_formula_sum   'Zr1 Cu2 Ir1'
_cell_volume   60.57
_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  0.26  0.0  0.94  1.0
  Cu  Cu0  1  0.13  0.0  0.65  1.0
  Cu  Cu1  1  0.94  0.0  0.9  1.0
  Ir  Ir2  1  0.64  0.0  0.87  1.0

data_ZrCu2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.15
_cell_length_c   4.84
_cell_angle_alpha   113.6
_cell_angle_beta   111.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu2Ir
_chemical_formula_sum   'Zr1 Cu2 Ir1'
_cell_volume   60.57
_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  0.0  0.94  0.26  1.0
  Cu  Cu1  1  0.0  0.65  0.13  1.0
  Cu  Cu2  1  0.0  0.9  0.94  1.0
  Ir  Ir3  1  0.0  0.87  0.64  1.0

Zr Cu Cu Ir