data_[Li6Tb2Cr4S12]
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
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2836]
_cell_length_b [10.8886]
_cell_length_c [6.4523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Tb(CrS3)2]
_chemical_formula_sum '[Li6 Tb2 Cr4 S12]'
_cell_volume [417.3565]
_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  4  0.0000  0.1655  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Tb  Tb2  2  0.0000  0.0000  0.0000  1
  Cr  Cr3  4  0.0000  0.3329  0.0000  1
  S  S4  8  0.2395  0.3168  0.7680  1
  S  S5  4  0.2131  0.5000  0.2354  1
]