data_[Ca6Sn14Pt4]
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 [Cmmm]
_cell_length_a [4.7063]
_cell_length_b [28.7242]
_cell_length_c [4.6561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ca3Sn7Pt2]
_chemical_formula_sum '[Ca6 Sn14 Pt4]'
_cell_volume [629.4309]
_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  0.0000  0.1794  0.0000  1.0
  Ca  Ca1  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn2  4  0.0000  0.0840  0.5000  1.0
  Sn  Sn3  4  0.0000  0.2771  0.5000  1.0
  Sn  Sn4  4  0.0000  0.4169  0.0000  1.0
  Sn  Sn5  2  0.0000  0.0000  0.0000  1.0
  Pt  Pt6  4  0.0000  0.3680  0.5000  1.0
]