data_[Pr1Sm1Y2Se4]
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
  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 [7.1681]
_cell_length_b [4.0895]
_cell_length_c [7.3134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8692]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PrSm(YSe2)2]
_chemical_formula_sum '[Pr1 Sm1 Y2 Se4]'
_cell_volume [202.8644]
_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  0.5000  0.5000  0.0000  1.0
  Sm  Sm1  1  0.0000  0.0000  0.0000  1.0
  Y  Y2  1  0.0000  0.5000  0.5000  1.0
  Y  Y3  1  0.5000  0.0000  0.5000  1.0
  Se  Se4  2  0.2419  0.0000  0.7364  1.0
  Se  Se5  2  0.2504  0.5000  0.2610  1.0
]