data_[Er4Zn40Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.7753]
_cell_length_b [10.2317]
_cell_length_c [8.6432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er(Zn5Ni)2]
_chemical_formula_sum '[Er4 Zn40 Ni8]'
_cell_volume [776.0395]
_cell_formula_units_Z [4]
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  4  0.0000  0.1277  0.7500  1
  Zn  Zn1  8  0.0000  0.1508  0.0989  1
  Zn  Zn2  8  0.0000  0.3750  0.5434  1
  Zn  Zn3  8  0.1531  0.3724  0.2500  1
  Zn  Zn4  8  0.2268  0.0000  0.0000  1
  Zn  Zn5  8  0.2291  0.3694  0.7500  1
  Ni  Ni6  8  0.2500  0.2500  0.0000  1
]