data_[Ca4Nd4Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9902]
_cell_length_b [4.4398]
_cell_length_c [5.9054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Nd2Pt3]
_chemical_formula_sum '[Ca4 Nd4 Pt6]'
_cell_volume [387.8015]
_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  0.0904  0.5000  0.8077  1.0
  Nd  Nd1  4  0.1657  0.0000  0.3200  1.0
  Pt  Pt2  4  0.2311  0.0000  0.8300  1.0
  Pt  Pt3  2  0.0000  0.0000  0.0000  1.0
]