data_[Pr2Nd6Y4Se12]
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 [C2/m]
_cell_length_a [7.2278]
_cell_length_b [12.5734]
_cell_length_c [7.2758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrNd3(YSe3)2]
_chemical_formula_sum '[Pr2 Nd6 Y4 Se12]'
_cell_volume [623.6300]
_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  0.0000  0.0000  0.0000  1
  Nd  Nd1  4  0.0000  0.1601  0.5000  1
  Nd  Nd2  2  0.0000  0.5000  0.5000  1
  Y  Y3  4  0.0000  0.3340  0.0000  1
  Se  Se4  8  0.2471  0.3279  0.7561  1
  Se  Se5  4  0.2359  0.5000  0.2385  1
]