# generated using pymatgen
data_Ca9ErIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.55044520
_cell_length_b   8.55049545
_cell_length_c   7.53092695
_cell_angle_alpha   82.68237931
_cell_angle_beta   97.31783807
_cell_angle_gamma   135.35740336
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca9ErIr4
_chemical_formula_sum   'Ca9 Er1 Ir4'
_cell_volume   383.20499687
_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  0.20313486  0.03151095  0.41991578  1.0
  Ca  Ca1  1  0.03148727  0.20311023  0.08009597  1.0
  Ca  Ca2  1  0.80177709  0.97602218  0.58192800  1.0
  Ca  Ca3  1  0.97603336  0.80178904  0.91806410  1.0
  Ca  Ca4  1  0.79692224  0.36349791  0.32277473  1.0
  Ca  Ca5  1  0.36349444  0.79691514  0.17722180  1.0
  Ca  Ca6  1  0.19890148  0.63495202  0.67785093  1.0
  Ca  Ca7  1  0.63495085  0.19890605  0.82214885  1.0
  Ca  Ca8  1  0.57502777  0.57502515  0.24999969  1.0
  Er  Er9  1  0.43660897  0.43661095  0.75000375  1.0
  Ir  Ir10  1  0.39612551  0.18493794  0.06997606  1.0
  Ir  Ir11  1  0.18493591  0.39612347  0.43002193  1.0
  Ir  Ir12  1  0.59345938  0.80713597  0.91271235  1.0
  Ir  Ir13  1  0.80714187  0.59346400  0.58728307  1.0