[CIF]
data_Sr2ZrIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31233328
_cell_length_b   4.31233328
_cell_length_c   5.41970334
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZrIr
_chemical_formula_sum   'Sr2 Zr1 Ir1'
_cell_volume   100.78598653
_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
  Ir  Ir0  1  2.15616664  2.15616664  0.00000000  1
  Sr  Sr1  1  2.15616664  0.00000000  2.70985167  1
  Sr  Sr2  1  0.00000000  2.15616664  2.70985167  1
  Zr  Zr3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
