data_Ni2Sn2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   6.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2Sn2P
_chemical_formula_sum   'Ni8 Sn8 P4'
_cell_volume   332.61
_cell_formula_units_Z   4
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
  Ni  Ni0  1  0.58  0.58  0.93  1.0
  Ni  Ni1  1  0.41  0.41  0.93  1.0
  Ni  Ni2  1  0.92  0.08  0.33  1.0
  Ni  Ni3  1  0.08  0.92  0.33  1.0
  Ni  Ni4  1  0.92  0.08  0.47  1.0
  Ni  Ni5  1  0.08  0.92  0.47  1.0
  Ni  Ni6  1  0.58  0.58  0.87  1.0
  Ni  Ni7  1  0.41  0.41  0.87  1.0
  Sn  Sn12  1  0.31  0.31  0.0  1.0
  Sn  Sn13  1  0.68  0.68  0.0  1.0
  Sn  Sn14  1  0.19  0.81  0.4  1.0
  Sn  Sn15  1  0.81  0.19  0.4  1.0
  Sn  Sn16  1  0.43  0.57  0.0  1.0
  Sn  Sn17  1  0.57  0.43  0.0  1.0
  Sn  Sn18  1  0.92  0.92  0.4  1.0
  Sn  Sn19  1  0.07  0.07  0.4  1.0
  P  P8  1  0.0  0.5  0.7  1.0
  P  P9  1  0.0  0.5  0.1  1.0
  P  P10  1  0.5  0.0  0.7  1.0
  P  P11  1  0.5  0.0  0.1  1.0

data_Ni2Sn2P
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   9.89
_cell_length_b   9.89
_cell_length_c   6.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   Ni2Sn2P
_chemical_formula_sum   'Ni16 Sn16 P8'
_cell_volume   665.22
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Ni  Ni0  4  0.0  0.42  0.87  1.0
  Ni  Ni1  4  0.0  0.42  0.93  1.0
  Ni  Ni2  4  0.08  0.0  0.33  1.0
  Ni  Ni3  4  0.08  0.0  0.47  1.0
  Sn  Sn4  4  0.0  0.07  0.4  1.0
  Sn  Sn5  4  0.0  0.31  0.0  1.0
  Sn  Sn6  4  0.07  0.5  0.0  1.0
  Sn  Sn7  4  0.19  0.0  0.4  1.0
  P  P8  4  0.25  0.25  0.1  1.0
  P  P9  4  0.25  0.25  0.7  1.0

Ni Ni Ni Ni Ni Ni Ni Ni Sn Sn Sn Sn Sn Sn Sn Sn P P P P