data_ReNi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNi2P
_chemical_formula_sum   'Re1 Ni2 P1'
_cell_volume   47.65
_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  0.46  0.46  0.12  1.0
  Ni  Ni0  1  0.0  0.0  0.1  1.0
  Ni  Ni1  1  0.46  0.46  0.48  1.0
  P  P2  1  0.0  0.0  0.69  1.0

data_ReNi2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReNi2P
_chemical_formula_sum   'Re2 Ni4 P2'
_cell_volume   95.3
_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  0.46  0.0  0.12  1.0
  Ni  Ni1  2  0.0  0.0  0.1  1.0
  Ni  Ni2  2  0.46  0.0  0.48  1.0
  P  P3  2  0.0  0.0  0.69  1.0

Re Ni Ni P
Re Ni Ni P 0 1 o o o 0 1 o + o 0 1 + o o 0 1 + + o 0 2 o o o 1 3 o o - 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 
ReNi2P crystallizes in the monoclinic Cm space group. Re(1) is bonded to one Ni(2) and four equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing ReNi5 square pyramids. The Re(1)-Ni(2) bond length is 2.04 Å. There are a spread of Re(1)-Ni(1) bond distances ranging from 1.90-2.23 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Re(1) and one P(1) atom to form a mixture of distorted corner and edge-sharing NiRe4P square pyramids. The Ni(1)-P(1) bond length is 2.28 Å. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to one Re(1) and four equivalent P(1) atoms. There are a spread of Ni(2)-P(1) bond distances ranging from 2.22-2.51 Å. P(1) is bonded in a 5-coordinate geometry to one Ni(1) and four equivalent Ni(2) atoms.