data_[Ca2Tl4P4Pt14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7466]
_cell_length_b [5.7484]
_cell_length_c [14.0422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaTl2P2Pt7]
_chemical_formula_sum '[Ca2 Tl4 P4 Pt14]'
_cell_volume [461.7305]
_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  0.0000  1.0
  Tl  Tl1  4  0.0832  0.0000  0.3978  1.0
  P  P2  4  0.0558  0.5000  0.2429  1.0
  Pt  Pt3  8  0.2138  0.2504  0.8434  1.0
  Pt  Pt4  4  0.0751  0.5000  0.4058  1.0
  Pt  Pt5  2  0.0000  0.5000  0.0000  1.0
]