data_[Pr2Nd2Sm2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3612]
_cell_length_b [4.0909]
_cell_length_c [10.9500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrNdSmSe3]
_chemical_formula_sum '[Pr2 Nd2 Sm2 Se6]'
_cell_volume [321.9485]
_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
[
  Pr  Pr0  2  0.3403  0.2500  0.3005  1.0
  Nd  Nd1  2  0.1217  0.2500  0.6287  1.0
  Sm  Sm2  2  0.2338  0.7500  0.9426  1.0
  Se  Se3  2  0.0555  0.7500  0.1560  1.0
  Se  Se4  2  0.2896  0.7500  0.4954  1.0
  Se  Se5  2  0.4554  0.2500  0.8373  1.0
]