data_[Er6Si8Ni14]
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 [14.6509]
_cell_length_b [3.8456]
_cell_length_c [8.9508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1320]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3Si4Ni7]
_chemical_formula_sum '[Er6 Si8 Ni14]'
_cell_volume [407.3083]
_cell_formula_units_Z [2]
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  0.1766  0.5000  0.1719  1
  Er  Er1  2  0.0000  0.0000  0.5000  1
  Si  Si2  4  0.1119  0.0000  0.3285  1
  Si  Si3  4  0.1638  0.5000  0.7780  1
  Ni  Ni4  4  0.0062  0.5000  0.7788  1
  Ni  Ni5  4  0.1644  0.0000  0.9221  1
  Ni  Ni6  4  0.1891  0.5000  0.5292  1
  Ni  Ni7  2  0.0000  0.0000  0.0000  1
]