# generated using pymatgen
data_Ca4ErIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58043593
_cell_length_b   7.38580479
_cell_length_c   8.60494154
_cell_angle_alpha   97.47697346
_cell_angle_beta   112.48017755
_cell_angle_gamma   89.99999599
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4ErIr2
_chemical_formula_sum   'Ca8 Er2 Ir4'
_cell_volume   382.58509302
_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  0.97591776  0.91972814  0.17240121  1.0
  Ca  Ca1  1  0.80351855  0.58027186  0.82759879  1.0
  Ca  Ca2  1  0.02408224  0.08027186  0.82759879  1.0
  Ca  Ca3  1  0.19648145  0.41972814  0.17240121  1.0
  Ca  Ca4  1  0.63605522  0.81949044  0.43357601  1.0
  Ca  Ca5  1  0.20247921  0.68050956  0.56642399  1.0
  Ca  Ca6  1  0.36394478  0.18050956  0.56642399  1.0
  Ca  Ca7  1  0.79752079  0.31949044  0.43357601  1.0
  Er  Er8  1  0.44011427  0.75000000  1.00000000  1.0
  Er  Er9  1  0.55988573  0.25000000  0.00000000  1.0
  Ir  Ir10  1  0.80319375  0.57385728  0.20568654  1.0
  Ir  Ir11  1  0.59750921  0.92614272  0.79431346  1.0
  Ir  Ir12  1  0.19680625  0.42614272  0.79431346  1.0
  Ir  Ir13  1  0.40249079  0.07385728  0.20568654  1.0