data_[Ta4Sb4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.4768]
_cell_length_b [13.3703]
_cell_length_c [12.6939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ta2Sb2S7]
_chemical_formula_sum '[Ta4 Sb4 S14]'
_cell_volume [590.0820]
_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  2  0.0000  0.0000  0.7404  1.0
  Ta  Ta1  2  0.0000  0.5000  0.0062  1.0
  Sb  Sb2  4  0.0000  0.3013  0.4615  1.0
  S  S3  4  0.0000  0.1080  0.4233  1.0
  S  S4  4  0.0000  0.1930  0.8192  1.0
  S  S5  4  0.0000  0.3854  0.1541  1.0
  S  S6  2  0.0000  0.5000  0.3913  1.0
]