data_[Ca6Pa4Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pa  1.5000  1.8000  1.0400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9977]
_cell_length_b [3.8553]
_cell_length_c [9.1695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7864]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca3(PaPt2)2]
_chemical_formula_sum '[Ca6 Pa4 Pt8]'
_cell_volume [478.4477]
_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  0.1051  0.5000  0.3951  1
  Ca  Ca1  2  0.0000  0.0000  0.0000  1
  Pa  Pa2  4  0.1892  0.5000  0.8150  1
  Pt  Pt3  4  0.0681  0.0000  0.6463  1
  Pt  Pt4  4  0.1648  0.5000  0.1096  1
]