data_[Pr12Sn4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.5380]
_cell_length_b [6.9349]
_cell_length_c [10.8540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr3SnSe]
_chemical_formula_sum '[Pr12 Sn4 Se4]'
_cell_volume [655.9148]
_cell_formula_units_Z [4]
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  0.0555  0.5829  0.8350  1
  Pr  Pr1  4  0.2055  0.0863  0.0309  1
  Pr  Pr2  4  0.4095  0.7026  0.3263  1
  Sn  Sn3  4  0.3548  0.2177  0.3404  1
  Se  Se4  4  0.0982  0.7348  0.1016  1
]