data_[Li2Ca2Tb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1725]
_cell_length_b [3.9219]
_cell_length_c [8.4250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCaTbS3]
_chemical_formula_sum '[Li2 Ca2 Tb2 S6]'
_cell_volume [264.5916]
_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  0.0850  0.7500  0.5833  1
  Ca  Ca1  2  0.1803  0.7500  0.2266  1
  Tb  Tb2  2  0.3346  0.2500  0.8268  1
  S  S3  2  0.1083  0.7500  0.8675  1
  S  S4  2  0.2114  0.2500  0.5001  1
  S  S5  2  0.4264  0.2500  0.1655  1
]