data_[Li2Pr2Tm2Se6]
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
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4165]
_cell_length_b [4.0268]
_cell_length_c [8.8537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiPrTmSe3]
_chemical_formula_sum '[Li2 Pr2 Tm2 Se6]'
_cell_volume [291.7031]
_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  0.0861  0.2500  0.5850  1.0
  Pr  Pr1  2  0.1920  0.2500  0.2282  1.0
  Tm  Tm2  2  0.3316  0.7500  0.8373  1.0
  Se  Se3  2  0.0981  0.2500  0.8694  1.0
  Se  Se4  2  0.2232  0.7500  0.5047  1.0
  Se  Se5  2  0.4373  0.7500  0.1704  1.0
]