data_[Cu7Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [2.8833]
_cell_length_b [2.8833]
_cell_length_c [20.9289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cu7Sn2]
_chemical_formula_sum '[Cu7 Sn2]'
_cell_volume [150.6836]
_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
[
  Cu  Cu0  2  0.0000  0.0000  0.2340  1
  Cu  Cu1  2  0.3333  0.6667  0.3235  1
  Cu  Cu2  2  0.3333  0.6667  0.5879  1
  Cu  Cu3  1  0.0000  0.0000  0.5000  1
  Sn  Sn4  2  0.3333  0.6667  0.8763  1
]