data_[Mn2Tl1Bi1Cl8]
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
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5331]
_cell_length_b [6.5442]
_cell_length_c [9.0512]
_cell_angle_alpha [78.0529]
_cell_angle_beta [78.6877]
_cell_angle_gamma [78.3475]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mn2TlBiCl8]
_chemical_formula_sum '[Mn2 Tl1 Bi1 Cl8]'
_cell_volume [365.9493]
_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
[
  Mn  Mn0  2  0.4561  0.4504  0.7134  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1900  0.7256  0.2298  1.0
  Cl  Cl4  2  0.2550  0.7920  0.7767  1.0
  Cl  Cl5  2  0.2880  0.2624  0.9569  1.0
  Cl  Cl6  2  0.3453  0.3217  0.5177  1.0
]