data_[Ni1Ag1S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.3959]
_cell_length_b [4.0307]
_cell_length_c [5.7341]
_cell_angle_alpha [73.4498]
_cell_angle_beta [78.4654]
_cell_angle_gamma [84.0255]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NiAgS2]
_chemical_formula_sum '[Ni1 Ag1 S2]'
_cell_volume [73.6242]
_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
[
  Ni  Ni0  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  1  0.5000  0.5000  0.5000  1.0
  S  S2  2  0.4165  0.0965  0.2216  1.0
]