data_[Pr2Nd1Y1Se4]
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
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3109]
_cell_length_b [4.1529]
_cell_length_c [7.3595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7488]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr2NdYSe4]
_chemical_formula_sum '[Pr2 Nd1 Y1 Se4]'
_cell_volume [211.5860]
_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
[
  Pr  Pr0  1  0.0000  0.5000  0.5000  1
  Pr  Pr1  1  0.5000  0.0000  0.5000  1
  Nd  Nd2  1  0.5000  0.5000  0.0000  1
  Y  Y3  1  0.0000  0.0000  0.0000  1
  Se  Se4  2  0.2397  0.5000  0.2378  1
  Se  Se5  2  0.2463  0.0000  0.7577  1
]