data_NiAg2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   144.75
_cell_angle_beta   129.06
_cell_angle_gamma   63.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAg2P
_chemical_formula_sum   'Ni1 Ag2 P1'
_cell_volume   62.68
_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  0.58  0.0  0.04  1.0
  Ag  Ag0  1  0.58  0.0  0.17  1.0
  Ag  Ag1  1  0.0  0.0  0.49  1.0
  P  P3  1  0.0  0.0  0.59  1.0

data_NiAg2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.48
_cell_length_c   5.21
_cell_angle_alpha   115.47
_cell_angle_beta   107.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAg2P
_chemical_formula_sum   'Ni1 Ag2 P1'
_cell_volume   62.68
_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  0.53  0.96  0.53  1.0
  Ag  Ag1  1  0.4  0.83  0.4  1.0
  Ag  Ag2  1  0.51  0.51  0.51  1.0
  P  P3  1  0.41  0.41  0.41  1.0

Ni Ag Ag P