data_[Ca1Tl1Ag2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [P2/m]
_cell_length_a [6.4308]
_cell_length_b [7.8592]
_cell_length_c [6.7392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaTl(AgCl4)2]
_chemical_formula_sum '[Ca1 Tl1 Ag2 Cl8]'
_cell_volume [338.6401]
_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
[
  Ca  Ca0  1  0.0000  0.5000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.5000  0.2501  0.5000  1.0
  Cl  Cl3  4  0.2115  0.2375  0.8428  1.0
  Cl  Cl4  2  0.2872  0.5000  0.3415  1.0
  Cl  Cl5  2  0.2888  0.0000  0.3387  1.0
]