data_[Er6Cu8Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0818]
_cell_length_b [4.4544]
_cell_length_c [6.9629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3(CuSn)4]
_chemical_formula_sum '[Er6 Cu8 Sn8]'
_cell_volume [452.4511]
_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  0.1300  0.0000  0.6489  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1561  0.5000  0.9794  1.0
  Cu  Cu3  4  0.1872  0.5000  0.3829  1.0
  Sn  Sn4  4  0.0125  0.5000  0.3094  1.0
  Sn  Sn5  4  0.2172  0.0000  0.1949  1.0
]