# generated using pymatgen
data_CaPr2ErIn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.70552457
_cell_length_b   6.70552547
_cell_length_c   10.08733525
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.53345748
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr2ErIn4
_chemical_formula_sum   'Ca2 Pr4 Er2 In8'
_cell_volume   449.65262465
_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  0.54077718  0.54077718  0.25000000  1.0
  Ca  Ca1  1  0.45922282  0.45922282  0.75000000  1.0
  Pr  Pr2  1  0.24934345  0.75065655  0.50000000  1.0
  Pr  Pr3  1  0.24934345  0.75065655  0.00000000  1.0
  Pr  Pr4  1  0.75065655  0.24934345  0.50000000  1.0
  Pr  Pr5  1  0.75065655  0.24934345  0.00000000  1.0
  Er  Er6  1  0.95432496  0.95432496  0.25000000  1.0
  Er  Er7  1  0.04567504  0.04567504  0.75000000  1.0
  In  In8  1  0.24677516  0.24677516  0.03292101  1.0
  In  In9  1  0.75322484  0.75322484  0.96707899  1.0
  In  In10  1  0.24677516  0.24677516  0.46707899  1.0
  In  In11  1  0.75322484  0.75322484  0.53292101  1.0
  In  In12  1  0.46495744  0.03259452  0.25000000  1.0
  In  In13  1  0.96740548  0.53504256  0.75000000  1.0
  In  In14  1  0.53504256  0.96740548  0.75000000  1.0
  In  In15  1  0.03259452  0.46495744  0.25000000  1.0