data_MnNbP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbP
_chemical_formula_sum   'Mn3 Nb3 P3'
_cell_volume   156.65
_cell_formula_units_Z   3
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
  Mn  Mn0  1  0.12  0.8  0.32  1.0
  Mn  Mn1  1  0.0  0.61  0.32  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.67  0.04  0.32  1.0
  Nb  Nb4  1  0.79  0.37  0.32  1.0
  Nb  Nb5  1  0.67  0.0  0.32  1.0
  P  P6  1  0.03  0.42  0.0  1.0
  P  P7  1  0.15  0.99  0.0  1.0
  P  P8  1  0.95  0.0  0.0  1.0

data_MnNbP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbP
_chemical_formula_sum   'Mn3 Nb3 P3'
_cell_volume   156.65
_cell_formula_units_Z   3
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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.32  0.0  0.61  1.0
  Mn  Mn2  1  0.32  0.12  0.8  1.0
  Nb  Nb3  1  0.32  0.67  0.04  1.0
  Nb  Nb4  1  0.32  0.67  0.0  1.0
  Nb  Nb5  1  0.32  0.79  0.37  1.0
  P  P6  1  -0.0  0.15  0.99  1.0
  P  P7  1  -0.0  0.03  0.42  1.0
  P  P8  1  -0.0  0.95  0.0  1.0

Mn Mn Mn Nb Nb Nb P P P
Mn Mn Mn Nb Nb Nb P P P 0 1 o o o 1 4 - o o 1 6 o o o 2 8 - o o 2 7 o - o 3 5 o o o 4 6 + o o 