data_[Er8Si8Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1927]
_cell_length_b [4.1764]
_cell_length_c [10.0046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Si2Ni]
_chemical_formula_sum '[Er8 Si8 Ni4]'
_cell_volume [375.1772]
_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  0.0069  0.0000  0.3291  1.0
  Er  Er1  4  0.1893  0.0000  0.1067  1.0
  Si  Si2  4  0.0105  0.5000  0.8801  1.0
  Si  Si3  4  0.1486  0.5000  0.5621  1.0
  Ni  Ni4  4  0.2254  0.5000  0.3546  1.0
]