data_Ta2AgS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   14.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AgS4
_chemical_formula_sum   'Ta2 Ag1 S4'
_cell_volume   138.68
_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  0.0  0.0  0.4  1.0
  Ta  Ta1  1  0.0  0.0  0.6  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  S  S3  1  0.69  0.98  0.98  1.0
  S  S4  1  0.0  0.95  0.03  1.0
  S  S5  1  0.0  0.95  0.12  1.0
  S  S6  1  0.69  0.98  0.89  1.0

data_Ta2AgS4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   14.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AgS4
_chemical_formula_sum   'Ta2 Ag1 S4'
_cell_volume   138.68
_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  0.0  0.0  0.4  1.0
  Ta  Ta1  1  0.0  0.0  0.6  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  S  S3  1  0.0  0.95  0.03  1.0
  S  S4  1  0.0  0.95  0.12  1.0
  S  S5  1  0.69  0.98  0.89  1.0
  S  S6  1  0.69  0.98  0.98  1.0

Ta Ta Ag S S S S
Ta Ta Ag S S S S 0 0 + + o 0 0 o + o 0 0 + o o 0 1 o o o 1 1 + + o 1 1 o + o 1 1 + o o 2 4 o - o 2 3 - - - 3 4 + o + 3 6 o o o 4 5 o o o 