data_NbTe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.73
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   110.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTe2P
_chemical_formula_sum   'Nb1 Te2 P1'
_cell_volume   98.05
_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  0.92  0.36  0.65  1.0
  Te  Te2  1  0.59  0.36  0.54  1.0
  Te  Te3  1  0.43  0.0  0.62  1.0
  P  P1  1  0.21  0.0  0.1  1.0

data_NbTe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.73
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   110.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTe2P
_chemical_formula_sum   'Nb1 Te2 P1'
_cell_volume   98.05
_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  0.92  0.36  0.65  1.0
  Te  Te1  1  0.43  0.0  0.62  1.0
  Te  Te2  1  0.59  0.36  0.54  1.0
  P  P3  1  0.21  0.0  0.1  1.0

Nb Te Te P
Nb Te Te P 0 1 o o o 0 3 + o + 1 2 o o o 1 3 o o o 2 3 o o + 2 3 o o o 