data_[Mn1Tl2Ag1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0920]
_cell_length_b [7.1485]
_cell_length_c [7.2280]
_cell_angle_alpha [90.7898]
_cell_angle_beta [119.0433]
_cell_angle_gamma [119.4061]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnTl2AgCl6]
_chemical_formula_sum '[Mn1 Tl2 Ag1 Cl6]'
_cell_volume [263.3483]
_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  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  2  0.4950  0.7428  0.2462  1.0
  Ag  Ag2  1  0.0000  0.5000  0.5000  1.0
  Cl  Cl3  2  0.0263  0.2484  0.7882  1.0
  Cl  Cl4  2  0.0696  0.8040  0.8024  1.0
  Cl  Cl5  2  0.4962  0.2707  0.2944  1.0
]