data_[Na1Pr1Nd2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3540]
_cell_length_b [4.2366]
_cell_length_c [7.3586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaPr(NdSe2)2]
_chemical_formula_sum '[Na1 Pr1 Nd2 Se4]'
_cell_volume [216.7376]
_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
[
  Na  Na0  1  0.5000  0.5000  0.0000  1.0
  Pr  Pr1  1  0.0000  0.0000  0.0000  1.0
  Nd  Nd2  1  0.0000  0.5000  0.5000  1.0
  Nd  Nd3  1  0.5000  0.0000  0.5000  1.0
  Se  Se4  2  0.2500  0.0000  0.7481  1.0
  Se  Se5  2  0.2535  0.5000  0.2502  1.0
]