data_[Y1Cu8Sn3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.1780]
_cell_length_b [5.1780]
_cell_length_c [8.3288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [YCu8Sn3]
_chemical_formula_sum '[Y1 Cu8 Sn3]'
_cell_volume [193.3889]
_cell_formula_units_Z [1]
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
[
  Y  Y0  1  0.0000  0.0000  0.4338  1.0
  Cu  Cu1  3  0.1652  0.8348  0.7541  1.0
  Cu  Cu2  3  0.5002  0.0003  0.2458  1.0
  Cu  Cu3  1  0.3333  0.6667  0.5012  1.0
  Cu  Cu4  1  0.3333  0.6667  0.9970  1.0
  Sn  Sn5  1  0.0000  0.0000  0.0570  1.0
  Sn  Sn6  1  0.6667  0.3333  0.5648  1.0
  Sn  Sn7  1  0.6667  0.3333  0.9464  1.0
]