data_[Er8Cu12Si16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.4397]
_cell_length_b [14.4280]
_cell_length_c [7.2348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Er2Cu3Si4]
_chemical_formula_sum '[Er8 Cu12 Si16]'
_cell_volume [567.8141]
_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  8  0.0000  0.1083  0.4039  1
  Si  Si1  8  0.0000  0.1789  0.0195  1
  Si  Si2  8  0.2500  0.0595  0.7500  1
  Cu  Cu3  8  0.2500  0.2249  0.7500  1
  Cu  Cu4  4  0.0000  0.0000  0.0000  1
]