data_[Ca4Cu2Pt4Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.7799]
_cell_length_b [9.7799]
_cell_length_c [4.1113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ca2CuPt2Au5]
_chemical_formula_sum '[Ca4 Cu2 Pt4 Au10]'
_cell_volume [393.2298]
_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
[
  Ca  Ca0  4  0.1706  0.6706  0.0000  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  Pt  Pt2  4  0.1287  0.3713  0.0000  1.0
  Au  Au3  8  0.0634  0.1926  0.5000  1.0
  Au  Au4  2  0.0000  0.5000  0.5000  1.0
]