data_[Pr1Sm1Se2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9841]
_cell_length_b [3.9841]
_cell_length_c [7.1535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [PrSm(SeF)2]
_chemical_formula_sum '[Pr1 Sm1 Se2 F2]'
_cell_volume [113.5486]
_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  0.0000  0.7823  1
  Sm  Sm1  1  0.5000  0.5000  0.2183  1
  Se  Se2  1  0.0000  0.0000  0.3544  1
  Se  Se3  1  0.5000  0.5000  0.6383  1
  F  F4  2  0.0000  0.5000  0.0033  1
]