# generated using pymatgen
data_Ca3Er(Si3Pd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20970693
_cell_length_b   8.20970727
_cell_length_c   8.22097161
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999863
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Er(Si3Pd)2
_chemical_formula_sum   'Ca6 Er2 Si12 Pd4'
_cell_volume   479.85399231
_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  0.50065679  0.00131459  0.25000000  1.0
  Ca  Ca1  1  0.49934321  0.99868541  0.75000000  1.0
  Ca  Ca2  1  0.99868541  0.49934321  0.25000000  1.0
  Ca  Ca3  1  0.00131459  0.50065679  0.75000000  1.0
  Ca  Ca4  1  0.50065679  0.49934321  0.25000000  1.0
  Ca  Ca5  1  0.49934321  0.50065679  0.75000000  1.0
  Er  Er6  1  0.00000000  0.00000000  0.25000000  1.0
  Er  Er7  1  0.00000000  0.00000000  0.75000000  1.0
  Si  Si8  1  0.16408922  0.32817743  0.00056722  1.0
  Si  Si9  1  0.83591078  0.67182257  0.99943278  1.0
  Si  Si10  1  0.67182257  0.83591078  0.00056722  1.0
  Si  Si11  1  0.83591078  0.67182257  0.50056722  1.0
  Si  Si12  1  0.32817743  0.16408922  0.99943278  1.0
  Si  Si13  1  0.16408922  0.32817743  0.49943278  1.0
  Si  Si14  1  0.16408922  0.83591078  0.00056722  1.0
  Si  Si15  1  0.32817743  0.16408922  0.50056722  1.0
  Si  Si16  1  0.83591078  0.16408922  0.99943278  1.0
  Si  Si17  1  0.67182257  0.83591078  0.49943278  1.0
  Si  Si18  1  0.83591078  0.16408922  0.50056722  1.0
  Si  Si19  1  0.16408922  0.83591078  0.49943278  1.0
  Pd  Pd20  1  0.33333300  0.66666700  0.00185718  1.0
  Pd  Pd21  1  0.66666700  0.33333300  0.99814282  1.0
  Pd  Pd22  1  0.66666700  0.33333300  0.50185718  1.0
  Pd  Pd23  1  0.33333300  0.66666700  0.49814282  1.0