data_[Er6Cu12Sn10]
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 [Immm]
_cell_length_a [4.3134]
_cell_length_b [9.9267]
_cell_length_c [12.7123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er3Cu6Sn5]
_chemical_formula_sum '[Er6 Cu12 Sn10]'
_cell_volume [544.3183]
_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  0.0000  0.0000  0.3100  1
  Er  Er1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  8  0.0000  0.2866  0.1268  1
  Cu  Cu3  4  0.0000  0.1876  0.5000  1
  Sn  Sn4  8  0.0000  0.3526  0.3366  1
  Sn  Sn5  2  0.0000  0.5000  0.0000  1
]