data_[Ca4Nd2Pt4]
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 [P2_1/m]
_cell_length_a [5.7145]
_cell_length_b [4.4926]
_cell_length_c [10.8584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0178]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2NdPt2]
_chemical_formula_sum '[Ca4 Nd2 Pt4]'
_cell_volume [277.2298]
_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  2  0.1098  0.7500  0.8805  1.0
  Ca  Ca1  2  0.2486  0.7500  0.5365  1.0
  Nd  Nd2  2  0.3950  0.7500  0.2092  1.0
  Pt  Pt3  2  0.2357  0.2500  0.3559  1.0
  Pt  Pt4  2  0.3572  0.2500  0.0265  1.0
]