data_Sr2CaCr
_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   129.77
_cell_angle_beta   129.77
_cell_angle_gamma   73.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaCr
_chemical_formula_sum   'Sr2 Ca1 Cr1'
_cell_volume   155.52
_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
  Sr  Sr2  1  0.0  0.74  0.58  1.0
  Sr  Sr3  1  0.74  0.0  0.58  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.17  1.0

data_Sr2CaCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.76
_cell_length_b   7.76
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   126.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2CaCr
_chemical_formula_sum   'Sr4 Ca2 Cr2'
_cell_volume   311.04
_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
  Sr  Sr0  4  0.29  0.13  0.16  1.0
  Ca  Ca1  2  0.0  0.0  0.0  1.0
  Cr  Cr2  2  0.33  0.5  0.83  1.0

Sr Sr Ca Cr
Sr2CaCr crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), and two equivalent Cr(1) atoms. The Sr(1)-Sr(1) bond length is 2.00 Å. The Sr(1)-Ca(1) bond length is 2.07 Å. There is one shorter (3.71 Å) and one longer (3.96 Å) Sr(1)-Cr(1) bond length. Ca(1) is bonded in a single-bond geometry to two equivalent Sr(1) and one Cr(1) atom. The Ca(1)-Cr(1) bond length is 1.09 Å. Cr(1) is bonded in a single-bond geometry to four equivalent Sr(1) and one Ca(1) atom.