[CIF]
data_Ca2ZrIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.53191370
_cell_length_b   10.53191370
_cell_length_c   10.53191370
_cell_angle_alpha   17.99030588
_cell_angle_beta   17.99030588
_cell_angle_gamma   17.99030588
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ZrIr
_chemical_formula_sum   'Ca2 Zr1 Ir1'
_cell_volume   97.30108313
_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  7.33654746  1
  Ca  Ca1  1  -0.00000000  0.00000000  23.74000996  1
  Ir  Ir2  1  -0.00000000  0.00000000  15.53827871  1
  Zr  Zr3  1  -0.00000000  -0.00000000  -0.00000000  1
[/CIF]
