data_NaCaCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   6.46
_cell_angle_alpha   144.61
_cell_angle_beta   144.61
_cell_angle_gamma   50.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaCr
_chemical_formula_sum   'Na1 Ca1 Cr1'
_cell_volume   90.1
_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
  Na  Na2  1  0.0  0.0  0.98  1.0
  Ca  Ca0  1  0.0  0.0  0.5  1.0
  Cr  Cr1  1  0.0  0.0  0.87  1.0

data_NaCaCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   115.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCaCr
_chemical_formula_sum   'Na2 Ca2 Cr2'
_cell_volume   180.19
_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
  Na  Na0  2  0.0  0.0  0.02  1.0
  Ca  Ca1  2  0.0  0.0  0.5  1.0
  Cr  Cr2  2  0.0  0.0  0.13  1.0

Na Ca Cr
NaCaCr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaCaCr clusters. Na(1) is bonded in a single-bond geometry to one Cr(1) atom. The Na(1)-Cr(1) bond length is 0.66 Å. Ca(1) is bonded in a distorted single-bond geometry to one Cr(1) atom. The Ca(1)-Cr(1) bond length is 2.45 Å. Cr(1) is bonded in a distorted single-bond geometry to one Na(1) and one Ca(1) atom.