data_[Er6Cu14Si8]
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 [C2/m]
_cell_length_a [14.9348]
_cell_length_b [4.0533]
_cell_length_c [8.9696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3Cu7Si4]
_chemical_formula_sum '[Er6 Cu14 Si8]'
_cell_volume [435.5052]
_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  0.1936  0.5000  0.1925  1
  Er  Er1  2  0.0000  0.0000  0.5000  1
  Cu  Cu2  4  0.0029  0.5000  0.7980  1
  Si  Si3  4  0.1205  0.0000  0.3376  1
  Cu  Cu4  4  0.1446  0.0000  0.9105  1
  Si  Si5  4  0.1606  0.5000  0.7856  1
  Cu  Cu6  4  0.1735  0.5000  0.5248  1
  Cu  Cu7  2  0.0000  0.0000  0.0000  1
]