data_[Cu4Pt7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7173]
_cell_length_b [4.7839]
_cell_length_c [7.2415]
_cell_angle_alpha [83.3573]
_cell_angle_beta [89.8640]
_cell_angle_gamma [80.6013]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cu4Pt7]
_chemical_formula_sum '[Cu4 Pt7]'
_cell_volume [160.1224]
_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  0.3196  0.5905  0.1348  1.0
  Cu  Cu1  2  0.4084  0.0439  0.3176  1.0
  Pt  Pt2  2  0.0466  0.2242  0.5926  1.0
  Pt  Pt3  2  0.1389  0.6797  0.7749  1.0
  Pt  Pt4  2  0.2332  0.1363  0.9558  1.0
  Pt  Pt5  1  0.5000  0.5000  0.5000  1.0
]