data_NiAgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.48
_cell_length_b   9.48
_cell_length_c   9.48
_cell_angle_alpha   16.7
_cell_angle_beta   16.7
_cell_angle_gamma   16.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAgW2
_chemical_formula_sum   'Ni1 Ag1 W2'
_cell_volume   61.39
_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  0.0  0.02  1.0
  W  W2  1  0.0  0.0  0.83  1.0
  W  W3  1  0.0  0.0  0.21  1.0

data_NiAgW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.77
_cell_length_b   2.75
_cell_length_c   9.48
_cell_angle_alpha   90.0
_cell_angle_beta   99.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiAgW2
_chemical_formula_sum   'Ni2 Ag2 W4'
_cell_volume   122.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Ag  Ag1  2  0.0  0.0  0.98  1.0
  W  W2  2  0.0  0.0  0.17  1.0
  W  W3  2  0.0  0.0  0.79  1.0

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