data_FeRe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRe2P
_chemical_formula_sum   'Fe1 Re2 P1'
_cell_volume   51.39
_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  0.0  0.13  1.0
  Re  Re2  1  0.43  0.43  0.47  1.0
  Re  Re3  1  0.43  0.43  0.8  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_FeRe2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeRe2P
_chemical_formula_sum   'Fe2 Re4 P2'
_cell_volume   102.78
_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
  Fe  Fe0  2  0.0  0.0  0.13  1.0
  Re  Re1  2  0.43  0.0  0.47  1.0
  Re  Re2  2  0.43  0.0  0.8  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Fe Re Re P
Re2FeP crystallizes in the monoclinic Cm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 9-coordinate geometry to one Re(2), four equivalent Re(1), and four equivalent Fe(1) atoms. The Re(1)-Re(2) bond length is 2.08 Å. All Re(1)-Re(1) bond lengths are 2.86 Å. There are a spread of Re(1)-Fe(1) bond distances ranging from 2.73-3.11 Å. In the second Re site, Re(2) is bonded in a 5-coordinate geometry to one Re(1) and four equivalent P(1) atoms. There are a spread of Re(2)-P(1) bond distances ranging from 2.15-2.62 Å. Fe(1) is bonded in a single-bond geometry to four equivalent Re(1) and one P(1) atom. The Fe(1)-P(1) bond length is 0.85 Å. P(1) is bonded in a single-bond geometry to four equivalent Re(2) and one Fe(1) atom.