data_Nb2SnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.65
_cell_length_c   6.65
_cell_angle_alpha   151.38
_cell_angle_beta   147.53
_cell_angle_gamma   43.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SnP
_chemical_formula_sum   'Nb2 Sn1 P1'
_cell_volume   75.49
_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  0.0  0.02  1.0
  Nb  Nb1  1  0.0  0.86  0.34  1.0
  Sn  Sn3  1  0.64  0.0  0.69  1.0
  P  P2  1  0.0  0.0  0.63  1.0

data_Nb2SnP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.72
_cell_length_c   6.65
_cell_angle_alpha   106.24
_cell_angle_beta   104.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SnP
_chemical_formula_sum   'Nb2 Sn1 P1'
_cell_volume   75.49
_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  0.66  0.52  0.52  1.0
  Nb  Nb1  1  0.98  0.98  0.98  1.0
  Sn  Sn2  1  0.95  0.31  0.95  1.0
  P  P3  1  0.37  0.37  0.37  1.0

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