data_CaReMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaReMo
_chemical_formula_sum   'Ca1 Re1 Mo1'
_cell_volume   57.5
_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  0.0  0.11  1.0
  Re  Re2  1  0.52  0.88  0.54  1.0
  Mo  Mo1  1  0.0  0.76  0.67  1.0

data_CaReMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaReMo
_chemical_formula_sum   'Ca1 Re1 Mo1'
_cell_volume   57.5
_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  0.0  0.11  1.0
  Re  Re1  1  0.52  0.88  0.54  1.0
  Mo  Mo2  1  0.0  0.76  0.67  1.0

Ca Re Mo
CaMoRe crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 11-coordinate geometry to six equivalent Ca(1), two equivalent Mo(1), and three equivalent Re(1) atoms. All Ca(1)-Ca(1) bond lengths are 3.05 Å. There is one shorter (3.23 Å) and one longer (3.90 Å) Ca(1)-Mo(1) bond length. There are a spread of Ca(1)-Re(1) bond distances ranging from 3.33-3.85 Å. Mo(1) is bonded in a 2-coordinate geometry to two equivalent Ca(1) and two equivalent Re(1) atoms. There is one shorter (1.73 Å) and one longer (1.92 Å) Mo(1)-Re(1) bond length. Re(1) is bonded in a 2-coordinate geometry to three equivalent Ca(1) and two equivalent Mo(1) atoms.