data_[Ta1Cr3Ag2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0088]
_cell_length_b [6.9898]
_cell_length_c [6.6856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TaCr3(AgS4)2]
_chemical_formula_sum '[Ta1 Cr3 Ag2 S8]'
_cell_volume [277.9052]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Cr  Cr1  2  0.5000  0.2492  0.5000  1.0
  Cr  Cr2  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag3  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag4  1  0.0000  0.5000  0.0000  1.0
  S  S5  4  0.2021  0.2458  0.7111  1.0
  S  S6  2  0.3042  0.0000  0.3053  1.0
  S  S7  2  0.3118  0.5000  0.2926  1.0
]