data_[Mn2Tl4Ag4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2533]
_cell_length_b [7.7070]
_cell_length_c [7.6243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnTl2(AgBr3)2]
_chemical_formula_sum '[Mn2 Tl4 Ag4 Br12]'
_cell_volume [712.0498]
_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
[
  Mn  Mn0  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl1  4  0.2465  0.5000  0.2956  1.0
  Ag  Ag2  4  0.0734  0.0000  0.9155  1.0
  Br  Br3  8  0.0590  0.2592  0.3201  1.0
  Br  Br4  4  0.2137  0.5000  0.8253  1.0
]