data_[Er14Ni4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.6524]
_cell_length_b [10.7060]
_cell_length_c [6.8439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er7(NiAu)2]
_chemical_formula_sum '[Er14 Ni4 Au4]'
_cell_volume [560.7008]
_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  8  0.2500  0.2500  0.2523  1
  Er  Er1  4  0.0000  0.5000  0.2464  1
  Er  Er2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  4  0.0000  0.2922  0.0000  1
  Au  Au4  4  0.1901  0.0000  0.5000  1
]