data_[Ca4As2P2Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.6176]
_cell_length_b [8.4739]
_cell_length_c [8.2155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ca2AsPPt6]
_chemical_formula_sum '[Ca4 As2 P2 Pt12]'
_cell_volume [391.0844]
_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  0.2417  0.2736  1.0
  As  As1  2  0.0000  0.5000  0.7209  1.0
  P  P2  2  0.0000  0.0000  0.7480  1.0
  Pt  Pt3  4  0.0000  0.2502  0.8787  1.0
  Pt  Pt4  4  0.2479  0.0000  0.5231  1.0
  Pt  Pt5  4  0.2492  0.5000  0.0034  1.0
]