data_[Ca4Sn6Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sn  1.9600  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.0449]
_cell_length_b [4.8386]
_cell_length_c [7.6374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.9645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ca2Sn3Pt]
_chemical_formula_sum '[Ca4 Sn6 Pt2]'
_cell_volume [308.2070]
_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  0.0467  0.5000  0.2951  1
  Ca  Ca1  2  0.4338  0.0000  0.6846  1
  Sn  Sn2  2  0.1617  0.0000  0.0740  1
  Sn  Sn3  2  0.3169  0.5000  0.8833  1
  Sn  Sn4  2  0.3661  0.5000  0.3393  1
  Pt  Pt5  2  0.1748  0.0000  0.7237  1
]