# generated using pymatgen
data_CaLa2(ErSi2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87172095
_cell_length_b   7.87172095
_cell_length_c   14.32132371
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLa2(ErSi2)2
_chemical_formula_sum   'Ca4 La8 Er8 Si16'
_cell_volume   887.40636929
_cell_formula_units_Z   4
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  0.68453584  0.68453584  0.50000000  1.0
  Ca  Ca1  1  0.81546416  0.18453584  0.75000000  1.0
  Ca  Ca2  1  0.18453584  0.81546416  0.25000000  1.0
  Ca  Ca3  1  0.31546416  0.31546416  0.00000000  1.0
  La  La4  1  0.99139105  0.64090414  0.03977695  1.0
  La  La5  1  0.00860895  0.35909586  0.53977695  1.0
  La  La6  1  0.64090414  0.99139105  0.96022305  1.0
  La  La7  1  0.14090414  0.50860895  0.78977695  1.0
  La  La8  1  0.85909586  0.49139105  0.28977695  1.0
  La  La9  1  0.50860895  0.14090414  0.21022305  1.0
  La  La10  1  0.49139105  0.85909586  0.71022305  1.0
  La  La11  1  0.35909586  0.00860895  0.46022305  1.0
  Er  Er12  1  0.36403625  0.49449115  0.37665636  1.0
  Er  Er13  1  0.86403625  0.00550885  0.37334364  1.0
  Er  Er14  1  0.99449115  0.13596375  0.12665636  1.0
  Er  Er15  1  0.00550885  0.86403625  0.62665636  1.0
  Er  Er16  1  0.63596375  0.50550885  0.87665636  1.0
  Er  Er17  1  0.49449115  0.36403625  0.62334364  1.0
  Er  Er18  1  0.50550885  0.63596375  0.12334364  1.0
  Er  Er19  1  0.13596375  0.99449115  0.87334364  1.0
  Si  Si20  1  0.07294765  0.71096380  0.44213060  1.0
  Si  Si21  1  0.92705235  0.28903620  0.94213060  1.0
  Si  Si22  1  0.71096380  0.07294765  0.55786940  1.0
  Si  Si23  1  0.21096480  0.42705235  0.19213060  1.0
  Si  Si24  1  0.78903620  0.57294765  0.69213060  1.0
  Si  Si25  1  0.42705235  0.21096480  0.80786940  1.0
  Si  Si26  1  0.57294765  0.78903620  0.30786940  1.0
  Si  Si27  1  0.28903620  0.92705235  0.05786940  1.0
  Si  Si28  1  0.85100806  0.78612151  0.81365699  1.0
  Si  Si29  1  0.14899194  0.21387849  0.31365699  1.0
  Si  Si30  1  0.78612151  0.85100806  0.18634301  1.0
  Si  Si31  1  0.28612151  0.64899194  0.56365699  1.0
  Si  Si32  1  0.71387849  0.35100806  0.06365699  1.0
  Si  Si33  1  0.64899194  0.28612151  0.43634301  1.0
  Si  Si34  1  0.35100806  0.71387849  0.93634301  1.0
  Si  Si35  1  0.21387849  0.14899194  0.68634301  1.0