data_[Ni1Ag1I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6007]
_cell_length_b [3.9350]
_cell_length_c [7.7528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4587]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NiAgI4]
_chemical_formula_sum '[Ni1 Ag1 I4]'
_cell_volume [207.5894]
_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  0.5000  0.0000  0.5000  1.0
  Ag  Ag1  1  0.0000  0.5000  0.5000  1.0
  I  I2  2  0.2730  0.5000  0.2718  1.0
  I  I3  2  0.2839  0.0000  0.7207  1.0
]