data_[La1Mn1Tl2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1397]
_cell_length_b [7.4297]
_cell_length_c [8.6036]
_cell_angle_alpha [87.2172]
_cell_angle_beta [86.7686]
_cell_angle_gamma [87.1826]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LaMn(TlBr4)2]
_chemical_formula_sum '[La1 Mn1 Tl2 Br8]'
_cell_volume [454.6318]
_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  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.4964  0.4928  0.2304  1.0
  Br  Br3  2  0.1739  0.7133  0.0063  1.0
  Br  Br4  2  0.2139  0.1145  0.7766  1.0
  Br  Br5  2  0.2360  0.6655  0.5047  1.0
  Br  Br6  2  0.2376  0.1345  0.2323  1.0
]