data_[Er2Pd14Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1972]
_cell_length_b [4.9796]
_cell_length_c [9.9252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErPd7Au4]
_chemical_formula_sum '[Er2 Pd14 Au8]'
_cell_volume [437.9401]
_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  0.0000  0.0000  1
  Pd  Pd1  4  0.1118  0.0000  0.4562  1
  Pd  Pd2  4  0.1575  0.5000  0.6203  1
  Pd  Pd3  4  0.2120  0.5000  0.9165  1
  Pd  Pd4  2  0.0000  0.5000  0.0000  1
  Au  Au5  4  0.0868  0.5000  0.3136  1
  Au  Au6  4  0.1852  0.0000  0.7718  1
]