data_[Sr12Tl4Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.7428]
_cell_length_b [22.2089]
_cell_length_c [5.7392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3TlAg]
_chemical_formula_sum '[Sr12 Tl4 Ag4]'
_cell_volume [731.9783]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.0000  0.0734  0.2500  1
  Sr  Sr1  4  0.0000  0.2492  0.2500  1
  Sr  Sr2  4  0.0000  0.4246  0.2500  1
  Tl  Tl3  4  0.0000  0.1567  0.7500  1
  Ag  Ag4  4  0.0000  0.3407  0.7500  1
]