data_[La1Tl2Te1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4706]
_cell_length_b [4.1109]
_cell_length_c [7.9120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LaTl2TeS4]
_chemical_formula_sum '[La1 Tl2 Te1 S4]'
_cell_volume [228.1303]
_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
[
  La  La0  1  0.5000  0.0000  0.5000  1
  Tl  Tl1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  1  0.5000  0.5000  0.0000  1
  Te  Te3  1  0.0000  0.5000  0.5000  1
  S  S4  2  0.2159  0.0000  0.6922  1
  S  S5  2  0.2919  0.5000  0.2643  1
]