data_[Ca4Cu2Pt2]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.3456]
_cell_length_b [4.1161]
_cell_length_c [10.6348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ca2CuPt]
_chemical_formula_sum '[Ca4 Cu2 Pt2]'
_cell_volume [190.2230]
_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  2  0.0000  0.0000  0.1427  1.0
  Ca  Ca1  2  0.5000  0.0000  0.8595  1.0
  Cu  Cu2  2  0.5000  0.0000  0.5653  1.0
  Pt  Pt3  2  0.0000  0.0000  0.4328  1.0
]