data_Nb3SiP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   25.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3SiP4
_chemical_formula_sum   'Nb6 Si2 P8'
_cell_volume   298.75
_cell_formula_units_Z   2
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  0.89  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.0  0.11  0.94  1.0
  Nb  Nb3  1  0.83  0.06  0.83  1.0
  Nb  Nb4  1  0.83  0.06  0.84  1.0
  Nb  Nb5  1  0.0  0.11  0.95  1.0
  Si  Si14  1  0.83  0.06  0.34  1.0
  Si  Si15  1  0.0  0.11  0.45  1.0
  P  P6  1  0.83  0.06  0.34  1.0
  P  P7  1  0.0  0.11  0.45  1.0
  P  P8  1  0.0  0.11  0.44  1.0
  P  P9  1  0.83  0.06  0.33  1.0
  P  P10  1  0.83  0.06  0.78  1.0
  P  P11  1  0.0  0.11  0.67  1.0
  P  P12  1  0.0  0.11  0.01  1.0
  P  P13  1  0.83  0.06  0.12  1.0

data_Nb3SiP4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   25.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3SiP4
_chemical_formula_sum   'Nb6 Si2 P8'
_cell_volume   298.75
_cell_formula_units_Z   2
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  0.0  1.0
  Nb  Nb1  1  0.0  0.0  0.89  1.0
  Nb  Nb2  1  0.0  0.11  0.94  1.0
  Nb  Nb3  1  0.0  0.11  0.95  1.0
  Nb  Nb4  1  0.83  0.06  0.83  1.0
  Nb  Nb5  1  0.83  0.06  0.84  1.0
  Si  Si6  1  0.0  0.11  0.45  1.0
  Si  Si7  1  0.83  0.06  0.34  1.0
  P  P8  1  0.0  0.11  0.01  1.0
  P  P9  1  0.0  0.11  0.44  1.0
  P  P10  1  0.0  0.11  0.45  1.0
  P  P11  1  0.0  0.11  0.67  1.0
  P  P12  1  0.83  0.06  0.12  1.0
  P  P13  1  0.83  0.06  0.33  1.0
  P  P14  1  0.83  0.06  0.34  1.0
  P  P15  1  0.83  0.06  0.78  1.0
