data_NiAg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   5.39
_cell_angle_alpha   102.97
_cell_angle_beta   102.97
_cell_angle_gamma   43.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAg2Te
_chemical_formula_sum   'Ni1 Ag2 Te1'
_cell_volume   76.33
_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  Ni2  1  0.6  0.0  0.55  1.0
  Ag  Ag0  1  0.27  0.0  0.1  1.0
  Ag  Ag1  1  0.05  0.0  0.82  1.0
  Te  Te3  1  0.29  0.0  0.6  1.0

data_NiAg2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.62
_cell_length_c   5.39
_cell_angle_alpha   102.97
_cell_angle_beta   90.0
_cell_angle_gamma   111.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAg2Te
_chemical_formula_sum   'Ni1 Ag2 Te1'
_cell_volume   76.33
_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  0.0  0.4  0.45  1.0
  Ag  Ag1  1  0.0  0.73  0.9  1.0
  Ag  Ag2  1  0.0  0.95  0.18  1.0
  Te  Te3  1  0.0  0.71  0.4  1.0

Ni Ag Ag Te
Ni Ag Ag Te 0 3 o o o 1 2 o o - 2 3 o o o 