data_[Li2Pr4Sm6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2091]
_cell_length_b [12.5790]
_cell_length_c [7.2694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5811]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiPr2(SmSe2)3]
_chemical_formula_sum '[Li2 Pr4 Sm6 Se12]'
_cell_volume [621.0835]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1.0
  Pr  Pr1  4  0.0000  0.3331  0.0000  1.0
  Sm  Sm2  4  0.0000  0.1692  0.5000  1.0
  Sm  Sm3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2430  0.1602  0.2503  1.0
  Se  Se5  4  0.2345  0.0000  0.7519  1.0
]