data_[Pr6Nd2Er4Se12]
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
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2668]
_cell_length_b [12.4920]
_cell_length_c [7.2579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Nd(ErSe3)2]
_chemical_formula_sum '[Pr6 Nd2 Er4 Se12]'
_cell_volume [621.4283]
_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  4  0.0000  0.1596  0.5000  1.0
  Pr  Pr1  2  0.0000  0.5000  0.5000  1.0
  Nd  Nd2  2  0.0000  0.0000  0.0000  1.0
  Er  Er3  4  0.0000  0.3335  0.0000  1.0
  Se  Se4  8  0.2488  0.3273  0.7626  1.0
  Se  Se5  4  0.2323  0.5000  0.2311  1.0
]