data_[Sr16Tl4Ga4]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.6533]
_cell_length_b [15.3253]
_cell_length_c [7.6261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr4TlGa]
_chemical_formula_sum '[Sr16 Tl4 Ga4]'
_cell_volume [1006.6142]
_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  8  0.1305  0.1818  0.5915  1.0
  Sr  Sr1  8  0.1878  0.4445  0.7466  1.0
  Tl  Tl2  4  0.0000  0.0076  0.7500  1.0
  Ga  Ga3  4  0.0000  0.3641  0.2500  1.0
]