data_[La2Mn2Tl2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9569]
_cell_length_b [4.2449]
_cell_length_c [9.4446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaMnTlS3]
_chemical_formula_sum '[La2 Mn2 Tl2 S6]'
_cell_volume [351.6834]
_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
[
  La  La0  2  0.3422  0.7500  0.8424  1.0
  Mn  Mn1  2  0.0805  0.2500  0.6072  1.0
  Tl  Tl2  2  0.1856  0.2500  0.2021  1.0
  S  S3  2  0.1257  0.2500  0.8604  1.0
  S  S4  2  0.1821  0.7500  0.5311  1.0
  S  S5  2  0.4393  0.7500  0.1508  1.0
]