data_CaRe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   123.29
_cell_angle_beta   123.29
_cell_angle_gamma   84.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRe2P
_chemical_formula_sum   'Ca1 Re2 P1'
_cell_volume   65.19
_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
  Ca  Ca0  1  0.0  0.19  0.7  1.0
  Re  Re2  1  0.19  0.0  0.7  1.0
  Re  Re3  1  0.0  0.0  0.41  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_CaRe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   4.6
_cell_angle_alpha   118.36
_cell_angle_beta   118.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaRe2P
_chemical_formula_sum   'Ca1 Re2 P1'
_cell_volume   65.19
_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
  Ca  Ca0  1  0.52  0.7  0.52  1.0
  Re  Re1  1  0.41  0.41  0.41  1.0
  Re  Re2  1  0.7  0.52  0.52  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ca Re Re P
CaRe2P crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 2-coordinate geometry to one Re(1), one Re(2), and two equivalent P(1) atoms. The Ca(1)-Re(1) bond length is 1.15 Å. The Ca(1)-Re(2) bond length is 1.14 Å. There is one shorter (1.96 Å) and one longer (3.21 Å) Ca(1)-P(1) bond length. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted single-bond geometry to one Ca(1) and two equivalent P(1) atoms. There is one shorter (1.96 Å) and one longer (3.21 Å) Re(1)-P(1) bond length. In the second Re site, Re(2) is bonded in a 1-coordinate geometry to one Ca(1) and one P(1) atom. The Re(2)-P(1) bond length is 1.89 Å. P(1) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Re(2), and two equivalent Re(1) atoms.