data_[Er2Cu6Pd14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4305]
_cell_length_b [9.2407]
_cell_length_c [5.1100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErCu3Pd7]
_chemical_formula_sum '[Er2 Cu6 Pd14]'
_cell_volume [366.0358]
_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
[
  Er  Er0  2  0.0000  0.5000  0.5000  1
  Cu  Cu1  4  0.0000  0.2284  0.0000  1
  Cu  Cu2  2  0.0000  0.0000  0.5000  1
  Pd  Pd3  8  0.1818  0.2250  0.6922  1
  Pd  Pd4  4  0.1787  0.0000  0.0592  1
  Pd  Pd5  2  0.0000  0.5000  0.0000  1
]