data_[Er4Si8Ni12]
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 [14.4419]
_cell_length_b [3.7767]
_cell_length_c [6.9405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3153]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErSi2Ni3]
_chemical_formula_sum '[Er4 Si8 Ni12]'
_cell_volume [342.2007]
_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  0.1534  0.0000  0.0691  1.0
  Si  Si1  4  0.0199  0.5000  0.1817  1.0
  Si  Si2  4  0.1867  0.0000  0.6688  1.0
  Ni  Ni3  4  0.0380  0.0000  0.3670  1.0
  Ni  Ni4  4  0.0938  0.5000  0.6733  1.0
  Ni  Ni5  4  0.1835  0.5000  0.4397  1.0
]