data_FeReP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.26
_cell_length_c   4.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeReP2
_chemical_formula_sum   'Fe1 Re1 P2'
_cell_volume   50.05
_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
  Fe  Fe0  1  0.0  0.13  0.94  1.0
  Re  Re3  1  0.46  0.0  1.0  1.0
  P  P1  1  0.0  0.0  0.02  1.0
  P  P2  1  0.46  0.13  0.09  1.0

data_FeReP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.02
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeReP2
_chemical_formula_sum   'Fe1 Re1 P2'
_cell_volume   50.05
_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
  Fe  Fe0  1  -0.0  0.06  0.87  1.0
  Re  Re1  1  0.54  0.0  0.0  1.0
  P  P2  1  0.0  0.98  0.0  1.0
  P  P3  1  0.54  0.91  0.87  1.0

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