data_NiAgSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   132.56
_cell_angle_beta   132.56
_cell_angle_gamma   69.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAgSn2
_chemical_formula_sum   'Ni1 Ag1 Sn2'
_cell_volume   77.19
_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  Ni1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.11  0.16  1.0
  Sn  Sn2  1  0.11  0.0  0.16  1.0
  Sn  Sn3  1  0.0  0.0  0.32  1.0

data_NiAgSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   5.25
_cell_angle_alpha   113.72
_cell_angle_beta   113.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAgSn2
_chemical_formula_sum   'Ni1 Ag1 Sn2'
_cell_volume   77.19
_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  0.0  0.0  1.0
  Ag  Ag1  1  0.95  0.11  0.95  1.0
  Sn  Sn2  1  0.68  0.0  0.68  1.0
  Sn  Sn3  1  0.84  0.0  0.95  1.0

Ni Ag Sn Sn
Ni Ag Sn Sn 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o o 2 3 o o o 