# generated using pymatgen
data_CaZr8(In2Ir)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.65052917
_cell_length_b   9.65052882
_cell_length_c   9.65052839
_cell_angle_alpha   60.00000147
_cell_angle_beta   60.00000268
_cell_angle_gamma   59.99999670
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZr8(In2Ir)7
_chemical_formula_sum   'Ca1 Zr8 In14 Ir7'
_cell_volume   635.53333797
_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  0.50000000  0.50000000  0.50000000  1.0
  Zr  Zr1  1  0.12407266  0.62778402  0.12407266  1.0
  Zr  Zr2  1  0.37221598  0.87592734  0.87592734  1.0
  Zr  Zr3  1  0.87592734  0.87592734  0.87592734  1.0
  Zr  Zr4  1  0.62778402  0.12407266  0.12407266  1.0
  Zr  Zr5  1  0.87592734  0.87592734  0.37221598  1.0
  Zr  Zr6  1  0.12407266  0.12407266  0.12407266  1.0
  Zr  Zr7  1  0.87592734  0.37221598  0.87592734  1.0
  Zr  Zr8  1  0.12407266  0.12407266  0.62778402  1.0
  In  In9  1  0.50000000  0.84724468  0.15275532  1.0
  In  In10  1  0.50000000  0.84724468  0.50000000  1.0
  In  In11  1  0.50000000  0.15275532  0.50000000  1.0
  In  In12  1  0.50000000  0.50000000  0.84724468  1.0
  In  In13  1  0.15275532  0.50000000  0.50000000  1.0
  In  In14  1  0.84724468  0.15275532  0.50000000  1.0
  In  In15  1  0.15275532  0.84724468  0.50000000  1.0
  In  In16  1  0.50000000  0.15275532  0.84724468  1.0
  In  In17  1  0.15275532  0.50000000  0.84724468  1.0
  In  In18  1  0.50000000  0.50000000  0.15275532  1.0
  In  In19  1  0.84724468  0.50000000  0.50000000  1.0
  In  In20  1  0.84724468  0.50000000  0.15275532  1.0
  In  In21  1  0.25000000  0.25000000  0.25000000  1.0
  In  In22  1  0.75000000  0.75000000  0.75000000  1.0
  Ir  Ir23  1  0.77967766  0.77967766  0.22032234  1.0
  Ir  Ir24  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir25  1  0.22032234  0.77967766  0.22032234  1.0
  Ir  Ir26  1  0.22032234  0.77967766  0.77967766  1.0
  Ir  Ir27  1  0.22032234  0.22032234  0.77967766  1.0
  Ir  Ir28  1  0.77967766  0.22032234  0.77967766  1.0
  Ir  Ir29  1  0.77967766  0.22032234  0.22032234  1.0