data_NiAg2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   2.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAg2P
_chemical_formula_sum   'Ni1 Ag2 P1'
_cell_volume   61.47
_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  0.66  0.0  0.0  1.0
  Ag  Ag0  1  0.33  0.03  0.43  1.0
  Ag  Ag1  1  0.33  0.97  0.43  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_NiAg2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   113.62
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAg2P
_chemical_formula_sum   'Ni1 Ag2 P1'
_cell_volume   61.47
_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  0.66  0.0  1.0
  Ag  Ag1  1  0.43  0.33  0.97  1.0
  Ag  Ag2  1  0.43  0.33  0.03  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ni Ag Ag P
Ni Ag Ag P 0 2 o - o 0 1 o o o 0 3 + o o 1 2 o - o 1 3 o o o 2 3 o + o 