data_InNiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   3.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNiP
_chemical_formula_sum   'In3 Ni3 P3'
_cell_volume   147.63
_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
  In  In0  1  0.51  0.32  0.79  1.0
  In  In1  1  0.95  0.65  0.79  1.0
  In  In2  1  0.99  0.0  0.79  1.0
  Ni  Ni3  1  0.45  0.99  0.79  1.0
  Ni  Ni4  1  0.0  0.98  0.79  1.0
  Ni  Ni5  1  0.0  0.0  0.0  1.0
  P  P6  1  0.72  0.21  0.0  1.0
  P  P7  1  0.17  0.76  0.0  1.0
  P  P8  1  0.55  0.0  0.0  1.0

data_InNiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNiP
_chemical_formula_sum   'In3 Ni3 P3'
_cell_volume   147.63
_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
  In  In0  1  0.79  0.51  0.32  1.0
  In  In1  1  0.79  0.95  0.65  1.0
  In  In2  1  0.79  0.99  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ni  Ni4  1  0.79  0.0  0.98  1.0
  Ni  Ni5  1  0.79  0.45  0.99  1.0
  P  P6  1  0.0  0.17  0.76  1.0
  P  P7  1  0.0  0.55  0.0  1.0
  P  P8  1  0.0  0.72  0.21  1.0

In In In Ni Ni Ni P P P
In In In Ni Ni Ni P P P 0 8 o o + 0 6 o o + 0 3 o - o 1 7 + o + 2 4 + - o 2 5 + o + 3 8 o + + 4 5 o + + 6 8 o o o 