data_[Ca4P2H2Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.7848]
_cell_length_b [8.3727]
_cell_length_c [6.8623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ca2PHPt6]
_chemical_formula_sum '[Ca4 P2 H2 Pt12]'
_cell_volume [332.3713]
_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  0.2809  0.2229  1.0
  P  P1  2  0.0000  0.0000  0.8248  1.0
  H  H2  2  0.0000  0.5000  0.6361  1.0
  Pt  Pt3  4  0.0000  0.2507  0.6844  1.0
  Pt  Pt4  4  0.2354  0.0000  0.4911  1.0
  Pt  Pt5  4  0.2404  0.5000  0.9234  1.0
]