data_MnNbP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.32
_cell_angle_alpha   104.71
_cell_angle_beta   104.71
_cell_angle_gamma   40.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbP2
_chemical_formula_sum   'Mn1 Nb1 P2'
_cell_volume   53.58
_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
  Mn  Mn0  1  0.56  0.0  0.71  1.0
  Nb  Nb1  1  0.2  0.0  0.33  1.0
  P  P2  1  0.86  0.0  0.11  1.0
  P  P3  1  0.98  0.0  0.25  1.0

data_MnNbP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.32
_cell_length_c   4.45
_cell_angle_alpha   104.71
_cell_angle_beta   110.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbP2
_chemical_formula_sum   'Mn1 Nb1 P2'
_cell_volume   53.58
_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
  Mn  Mn0  1  0.0  0.71  0.56  1.0
  Nb  Nb1  1  0.0  0.33  0.2  1.0
  P  P2  1  0.0  0.11  0.86  1.0
  P  P3  1  0.0  0.25  0.98  1.0

Mn Nb P P
Mn Nb P P 0 1 o o o 0 2 o o + 1 3 - o o 2 3 o o o 