data_[Ni2Ag4Te2]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2441]
_cell_length_b [4.0905]
_cell_length_c [5.5681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NiAg2Te]
_chemical_formula_sum '[Ni2 Ag4 Te2]'
_cell_volume [155.8607]
_cell_formula_units_Z [2]
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  2  0.4785  0.0000  0.3463  1
  Ag  Ag1  2  0.0009  0.0000  0.0202  1
  Ag  Ag2  2  0.2202  0.0000  0.7526  1
  Te  Te3  2  0.3004  0.5000  0.3810  1
]