data_[Ta4Ga4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7208]
_cell_length_b [10.0017]
_cell_length_c [6.7571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2Ga2S7]
_chemical_formula_sum '[Ta4 Ga4 S14]'
_cell_volume [507.0382]
_cell_formula_units_Z [2]
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
[
  Ta  Ta0  4  0.0000  0.3470  0.0000  1
  Ga  Ga1  4  0.2313  0.0000  0.3669  1
  S  S2  8  0.2413  0.3082  0.8091  1
  S  S3  4  0.0987  0.5000  0.2688  1
  S  S4  2  0.0000  0.0000  0.5000  1
]