data_[Sr4Ta4S16]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.8756]
_cell_length_b [18.6677]
_cell_length_c [6.4547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SrTaS4]
_chemical_formula_sum '[Sr4 Ta4 S16]'
_cell_volume [587.4870]
_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  0.1584  0.6498  1
  Ta  Ta1  4  0.0000  0.4091  0.7491  1
  S  S2  4  0.0000  0.0805  0.2462  1
  S  S3  4  0.0000  0.2943  0.9062  1
  S  S4  4  0.0000  0.3742  0.3985  1
  S  S5  4  0.0000  0.4612  0.1169  1
]