data_[Li1Tb2Pr1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1522]
_cell_length_b [4.1099]
_cell_length_c [7.1667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiTb2PrSe4]
_chemical_formula_sum '[Li1 Tb2 Pr1 Se4]'
_cell_volume [198.9361]
_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
[
  Li  Li0  1  0.5000  0.5000  0.0000  1
  Tb  Tb1  1  0.0000  0.5000  0.5000  1
  Tb  Tb2  1  0.5000  0.0000  0.5000  1
  Pr  Pr3  1  0.0000  0.0000  0.0000  1
  Se  Se4  2  0.2577  0.0000  0.7488  1
  Se  Se5  2  0.2628  0.5000  0.2555  1
]