data_[Cu30Sn2]
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 [P2_1/m]
_cell_length_a [7.0788]
_cell_length_b [2.6112]
_cell_length_c [34.0554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0349]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cu15Sn]
_chemical_formula_sum '[Cu30 Sn2]'
_cell_volume [629.4895]
_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
[
  Cu  Cu0  2  0.1226  0.2500  0.1681  1
  Cu  Cu1  2  0.1243  0.2500  0.0931  1
  Cu  Cu2  2  0.1249  0.2500  0.8691  1
  Cu  Cu3  2  0.1250  0.2500  0.0185  1
  Cu  Cu4  2  0.1250  0.2500  0.7930  1
  Cu  Cu5  2  0.1250  0.2500  0.9441  1
  Cu  Cu6  2  0.1291  0.2500  0.2439  1
  Cu  Cu7  2  0.3726  0.7500  0.8318  1
  Cu  Cu8  2  0.3743  0.7500  0.9068  1
  Cu  Cu9  2  0.3749  0.7500  0.2792  1
  Cu  Cu10  2  0.3749  0.7500  0.2047  1
  Cu  Cu11  2  0.3749  0.7500  0.1303  1
  Cu  Cu12  2  0.3750  0.7500  0.9813  1
  Cu  Cu13  2  0.3750  0.7500  0.0557  1
  Cu  Cu14  2  0.3792  0.7500  0.7561  1
  Sn  Sn15  2  0.1249  0.2500  0.7061  1
]