data_Nb2AgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   4.53
_cell_angle_alpha   113.77
_cell_angle_beta   113.77
_cell_angle_gamma   34.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgP
_chemical_formula_sum   'Nb2 Ag1 P1'
_cell_volume   66.64
_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
  Nb  Nb1  1  0.05  0.0  0.06  1.0
  Nb  Nb2  1  0.82  0.0  0.83  1.0
  Ag  Ag0  1  0.46  0.0  0.06  1.0
  P  P3  1  0.12  0.0  0.19  1.0

data_Nb2AgP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.53
_cell_length_c   5.35
_cell_angle_alpha   113.77
_cell_angle_beta   107.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgP
_chemical_formula_sum   'Nb2 Ag1 P1'
_cell_volume   66.64
_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
  Nb  Nb0  1  0.0  0.06  0.05  1.0
  Nb  Nb1  1  0.0  0.83  0.82  1.0
  Ag  Ag2  1  0.0  0.06  0.46  1.0
  P  P3  1  0.0  0.19  0.12  1.0

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