data_NbSiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.5
_cell_length_c   2.86
_cell_angle_alpha   80.32
_cell_angle_beta   74.6
_cell_angle_gamma   25.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSiP
_chemical_formula_sum   'Nb1 Si1 P1'
_cell_volume   49.59
_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  0.77  0.25  0.05  1.0
  Si  Si2  1  0.77  0.25  0.32  1.0
  P  P1  1  0.77  0.25  0.12  1.0

data_NbSiP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.53
_cell_length_b   12.5
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   128.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbSiP
_chemical_formula_sum   'Nb2 Si2 P2'
_cell_volume   99.19
_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
  Nb  Nb0  2  0.05  0.0  0.82  1.0
  Si  Si1  2  0.32  0.0  0.09  1.0
  P  P2  2  0.12  0.0  0.89  1.0

Nb Si P