data_[Ca1Tl1Ag2F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.6253]
_cell_length_b [4.0483]
_cell_length_c [7.6546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaTlAg2F8]
_chemical_formula_sum '[Ca1 Tl1 Ag2 F8]'
_cell_volume [173.8897]
_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  0.0000  0.5000  1
  Tl  Tl1  1  0.0000  0.0000  0.0000  1
  Ag  Ag2  2  0.4989  0.5000  0.2533  1
  F  F3  2  0.2308  0.0000  0.2535  1
  F  F4  2  0.2344  0.5000  0.0172  1
  F  F5  2  0.2353  0.0000  0.7763  1
  F  F6  2  0.2401  0.5000  0.5165  1
]