data_[Ca1Pu1Pt10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pu  1.2800  1.7500  0.9675
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.4297]
_cell_length_b [5.3985]
_cell_length_c [9.3212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [CaPuPt10]
_chemical_formula_sum '[Ca1 Pu1 Pt10]'
_cell_volume [222.9043]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Pu  Pu1  1  0.0000  0.5000  0.5000  1
  Pt  Pt2  4  0.5000  0.2517  0.2519  1
  Pt  Pt3  2  0.0000  0.0000  0.3340  1
  Pt  Pt4  2  0.0000  0.5000  0.1680  1
  Pt  Pt5  1  0.5000  0.0000  0.5000  1
  Pt  Pt6  1  0.5000  0.5000  0.0000  1
]