data_[Er12Si12Ni4]
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 [10.2618]
_cell_length_b [4.1623]
_cell_length_c [13.4208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3Si3Ni]
_chemical_formula_sum '[Er12 Si12 Ni4]'
_cell_volume [536.7971]
_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  0.0295  0.5000  0.3799  1.0
  Er  Er1  4  0.1014  0.5000  0.9212  1.0
  Er  Er2  4  0.2472  0.5000  0.2276  1.0
  Si  Si3  4  0.0463  0.0000  0.2363  1.0
  Si  Si4  4  0.1144  0.0000  0.0759  1.0
  Si  Si5  4  0.1364  0.0000  0.5429  1.0
  Ni  Ni6  4  0.2473  0.0000  0.4030  1.0
]