data_[Li1Tb2Sm1Te4]
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
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5737]
_cell_length_b [4.3602]
_cell_length_c [7.5893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0746]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiTb2SmTe4]
_chemical_formula_sum '[Li1 Tb2 Sm1 Te4]'
_cell_volume [236.8561]
_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  0.0000  0.5000  0.5000  1.0
  Tb  Tb1  1  0.5000  0.0000  0.5000  1.0
  Tb  Tb2  1  0.5000  0.5000  0.0000  1.0
  Sm  Sm3  1  0.0000  0.0000  0.0000  1.0
  Te  Te4  2  0.2447  0.0000  0.7411  1.0
  Te  Te5  2  0.2486  0.5000  0.2585  1.0
]