data_[Ca2Sn8Pt2]
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 [P2_1/m]
_cell_length_a [4.4194]
_cell_length_b [7.8996]
_cell_length_c [8.9959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaSn4Pt]
_chemical_formula_sum '[Ca2 Sn8 Pt2]'
_cell_volume [307.7688]
_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  0.1546  0.2500  0.7635  1.0
  Sn  Sn1  4  0.3002  0.0388  0.1310  1.0
  Sn  Sn2  2  0.0567  0.7500  0.6146  1.0
  Sn  Sn3  2  0.5000  0.0000  0.5000  1.0
  Pt  Pt4  2  0.2325  0.7500  0.9298  1.0
]