data_ReAgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.72
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAgP2
_chemical_formula_sum   'Re1 Ag1 P2'
_cell_volume   74.91
_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  Re3  1  0.52  0.86  0.08  1.0
  Ag  Ag0  1  0.0  0.0  0.24  1.0
  P  P1  1  0.52  0.86  0.44  1.0
  P  P2  1  0.0  0.0  0.76  1.0

data_ReAgP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.72
_cell_length_c   6.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAgP2
_chemical_formula_sum   'Re1 Ag1 P2'
_cell_volume   74.91
_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  Re0  1  0.52  0.86  0.08  1.0
  Ag  Ag1  1  0.0  0.0  0.24  1.0
  P  P2  1  0.0  0.0  0.76  1.0
  P  P3  1  0.52  0.86  0.44  1.0

Re Ag P P
Re Ag P P 0 1 o + o 0 1 + + o 0 2 o o o 0 3 + + - 0 3 o + - 1 2 - - o 1 2 o - o 1 3 o o - 2 3 + + o 2 3 o + o 3 3 + o o 