[CIF]
data_CaZr2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35346141
_cell_length_b   3.35346141
_cell_length_c   8.22744884
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZr2Ir
_chemical_formula_sum   'Ca1 Zr2 Ir1'
_cell_volume   92.52344963
_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
  Ca  Ca0  1  0.00000000  0.00000000  4.50853583  1
  Ir  Ir1  1  1.67673070  1.67673070  6.45832281  1
  Zr  Zr2  1  0.00000000  0.00000000  7.88054669  1
  Zr  Zr3  1  1.67673070  1.67673070  1.72121669  1
[/CIF]
