data_ReSiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.65
_cell_angle_alpha   95.33
_cell_angle_beta   95.33
_cell_angle_gamma   42.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiP2
_chemical_formula_sum   'Re1 Si1 P2'
_cell_volume   57.43
_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  Re2  1  0.77  0.0  0.31  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  P  P0  1  0.45  0.0  0.35  1.0
  P  P1  1  0.08  0.0  0.27  1.0

data_ReSiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.29
_cell_length_c   4.65
_cell_angle_alpha   95.33
_cell_angle_beta   90.0
_cell_angle_gamma   111.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiP2
_chemical_formula_sum   'Re1 Si1 P2'
_cell_volume   57.43
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.23  0.69  1.0
  P  P2  1  0.0  0.55  0.65  1.0
  P  P3  1  0.0  0.92  0.73  1.0

Re Si P P