data_[Sr4Ta4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ta  1.5000  1.4500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5879]
_cell_length_b [7.5879]
_cell_length_c [7.5879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [SrTaCl2]
_chemical_formula_sum '[Sr4 Ta4 Cl8]'
_cell_volume [436.8761]
_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  0.0000  0.5000  1
  Ta  Ta1  4  0.2500  0.2500  0.2500  1
  Cl  Cl2  4  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.2500  0.2500  0.7500  1
]