# generated using pymatgen
data_Ca2Er(B3Rh4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84565393
_cell_length_b   9.00529553
_cell_length_c   5.55278746
_cell_angle_alpha   81.37854888
_cell_angle_beta   64.73072194
_cell_angle_gamma   33.89072887
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Er(B3Rh4)2
_chemical_formula_sum   'Ca2 Er1 B6 Rh8'
_cell_volume   226.93820291
_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  0.31610352  0.31610352  0.68389648  1.0
  Ca  Ca1  1  0.68389648  0.68389648  0.31610352  1.0
  Er  Er2  1  0.50000000  0.50000000  0.50000000  1.0
  B  B3  1  0.66919148  0.98784707  0.01215293  1.0
  B  B4  1  0.98784707  0.66919148  0.33080852  1.0
  B  B5  1  0.33080852  0.01215293  0.98784707  1.0
  B  B6  1  0.01215293  0.33080852  0.66919148  1.0
  B  B7  1  0.16633022  0.83366978  0.16633022  1.0
  B  B8  1  0.83366978  0.16633022  0.83366978  1.0
  Rh  Rh9  1  0.58482119  0.58482119  0.91517881  1.0
  Rh  Rh10  1  0.91402433  0.91402433  0.08597567  1.0
  Rh  Rh11  1  0.41517881  0.41517881  0.08482119  1.0
  Rh  Rh12  1  0.08482119  0.08482119  0.41517881  1.0
  Rh  Rh13  1  0.91517881  0.91517881  0.58482119  1.0
  Rh  Rh14  1  0.25000000  0.25000000  0.25000000  1.0
  Rh  Rh15  1  0.08597567  0.08597567  0.91402433  1.0
  Rh  Rh16  1  0.75000000  0.75000000  0.75000000  1.0