# generated using pymatgen
data_Ca4YIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60414543
_cell_length_b   7.42425048
_cell_length_c   8.63082839
_cell_angle_alpha   97.46982300
_cell_angle_beta   112.49424561
_cell_angle_gamma   89.99999671
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4YIr2
_chemical_formula_sum   'Ca8 Y2 Ir4'
_cell_volume   387.09064395
_cell_formula_units_Z   2
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  0.97839249  0.91883704  0.17313341  1.0
  Ca  Ca1  1  0.80525808  0.58116296  0.82686659  1.0
  Ca  Ca2  1  0.02160751  0.08116296  0.82686659  1.0
  Ca  Ca3  1  0.19474192  0.41883704  0.17313341  1.0
  Ca  Ca4  1  0.63658246  0.82030380  0.43433106  1.0
  Ca  Ca5  1  0.20225140  0.67969620  0.56566894  1.0
  Ca  Ca6  1  0.36341754  0.17969620  0.56566894  1.0
  Ca  Ca7  1  0.79774860  0.32030380  0.43433106  1.0
  Y  Y8  1  0.43859087  0.75000000  0.00000000  1.0
  Y  Y9  1  0.56140913  0.25000000  1.00000000  1.0
  Ir  Ir10  1  0.80790171  0.57602331  0.20920944  1.0
  Ir  Ir11  1  0.59869127  0.92397669  0.79079056  1.0
  Ir  Ir12  1  0.19209829  0.42397669  0.79079056  1.0
  Ir  Ir13  1  0.40130873  0.07602331  0.20920944  1.0