data_ReSn2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.9
_cell_length_b   7.9
_cell_length_c   7.9
_cell_angle_alpha   25.15
_cell_angle_beta   25.15
_cell_angle_gamma   25.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSn2P
_chemical_formula_sum   'Re1 Sn2 P1'
_cell_volume   78.42
_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
  Re  Re1  1  0.0  0.0  0.47  1.0
  Sn  Sn2  1  0.0  0.0  0.77  1.0
  Sn  Sn3  1  0.0  0.0  0.18  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_ReSn2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.96
_cell_length_b   3.44
_cell_length_c   7.9
_cell_angle_alpha   90.0
_cell_angle_beta   104.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReSn2P
_chemical_formula_sum   'Re2 Sn4 P2'
_cell_volume   156.83
_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
  Re  Re0  2  0.0  0.0  0.53  1.0
  Sn  Sn1  2  0.0  0.0  0.23  1.0
  Sn  Sn2  2  0.0  0.0  0.82  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Re Sn Sn P
Re Sn Sn P 0 2 o o o 0 1 o o o 1 3 o o + 2 3 o o o 