data_NiAgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   6.92
_cell_angle_alpha   153.59
_cell_angle_beta   145.32
_cell_angle_gamma   44.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAgSb2
_chemical_formula_sum   'Ni1 Ag1 Sb2'
_cell_volume   83.73
_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  0.89  1.0
  Ag  Ag0  1  0.0  0.06  0.83  1.0
  Sb  Sb2  1  0.0  0.06  0.61  1.0
  Sb  Sb3  1  0.0  0.0  0.91  1.0

data_NiAgSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.13
_cell_length_c   6.92
_cell_angle_alpha   107.34
_cell_angle_beta   103.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAgSb2
_chemical_formula_sum   'Ni1 Ag1 Sb2'
_cell_volume   83.73
_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  0.89  0.89  1.0
  Ag  Ag1  1  0.94  0.77  0.77  1.0
  Sb  Sb2  1  0.0  0.91  0.91  1.0
  Sb  Sb3  1  0.94  0.55  0.55  1.0

Ni Ag Sb Sb
Ni Ag Sb Sb 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 