data_Nb2InP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43
_cell_length_b   7.43
_cell_length_c   7.43
_cell_angle_alpha   27.37
_cell_angle_beta   27.37
_cell_angle_gamma   27.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2InP
_chemical_formula_sum   'Nb2 In1 P1'
_cell_volume   76.55
_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  Nb1  1  0.0  0.0  0.6  1.0
  Nb  Nb2  1  0.0  0.0  0.85  1.0
  In  In0  1  0.0  0.0  0.72  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Nb2InP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.09
_cell_length_b   3.52
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   105.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2InP
_chemical_formula_sum   'Nb4 In2 P2'
_cell_volume   153.09
_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  0.4  1.0
  Nb  Nb1  2  -0.0  0.0  0.15  1.0
  In  In2  2  -0.0  0.0  0.28  1.0
  P  P3  2  -0.0  0.0  0.0  1.0

Nb Nb In P