data_[Er6Zn4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6719]
_cell_length_b [4.0484]
_cell_length_c [8.3015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3291]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3(ZnSi2)2]
_chemical_formula_sum '[Er6 Zn4 Si8]'
_cell_volume [338.4408]
_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  0.1248  0.5000  0.6939  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1728  0.5000  0.3290  1.0
  Si  Si3  4  0.0826  0.0000  0.4103  1.0
  Si  Si4  4  0.2195  0.5000  0.0585  1.0
]