data_[Na2Ca2Nd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.6907]
_cell_length_b [3.6907]
_cell_length_c [16.6484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [NaCaNd]
_chemical_formula_sum '[Na2 Ca2 Nd2]'
_cell_volume [226.7697]
_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
[
  Na  Na0  2  0.0000  0.5000  0.5814  1.0
  Ca  Ca1  2  0.0000  0.5000  0.2445  1.0
  Nd  Nd2  2  0.0000  0.5000  0.9248  1.0
]