data_[Er16Zn4Ni8]
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 [Cc]
_cell_length_a [8.2243]
_cell_length_b [14.2516]
_cell_length_c [6.6875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.5937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Er4ZnNi2]
_chemical_formula_sum '[Er16 Zn4 Ni8]'
_cell_volume [621.0769]
_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  0.1636  0.3241  0.7327  1.0
  Er  Er1  4  0.4098  0.0337  0.4045  1.0
  Er  Er2  4  0.4399  0.4666  0.2656  1.0
  Er  Er3  4  0.4891  0.2601  0.5811  1.0
  Zn  Zn4  4  0.1899  0.1300  0.6044  1.0
  Ni  Ni5  4  0.1779  0.4095  0.3732  1.0
  Ni  Ni6  4  0.2683  0.1606  0.0372  1.0
]