data_NbTeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   144.93
_cell_angle_beta   144.93
_cell_angle_gamma   50.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTeP
_chemical_formula_sum   'Nb1 Te1 P1'
_cell_volume   58.64
_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  0.0  0.93  1.0
  Te  Te2  1  0.0  0.0  0.65  1.0
  P  P1  1  0.0  0.0  0.8  1.0

data_NbTeP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   115.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbTeP
_chemical_formula_sum   'Nb2 Te2 P2'
_cell_volume   117.27
_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  0.0  0.0  0.07  1.0
  Te  Te1  2  0.0  0.0  0.35  1.0
  P  P2  2  0.0  0.0  0.2  1.0

Nb Te P
Nb Te P 0 2 o o o 1 2 o o o 