data_Mg2CrSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   4.82
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   105.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrSb
_chemical_formula_sum   'Mg2 Cr1 Sb1'
_cell_volume   76.09
_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
  Mg  Mg1  1  0.03  0.41  0.21  1.0
  Mg  Mg2  1  0.51  0.41  0.05  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.77  0.0  0.63  1.0

data_Mg2CrSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.82
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   105.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrSb
_chemical_formula_sum   'Mg2 Cr1 Sb1'
_cell_volume   76.09
_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
  Mg  Mg0  1  0.03  0.41  0.21  1.0
  Mg  Mg1  1  0.51  0.41  0.05  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.77  0.0  0.63  1.0

Mg Mg Cr Sb
Mg Mg Cr Sb 0 1 - o o 0 1 o o o 0 2 o o o 1 2 o o o 2 3 - o - 
Mg2CrSb crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to two equivalent Mg(2), two equivalent Cr(1), and two equivalent Sb(1) atoms. There is one shorter (1.57 Å) and one longer (1.86 Å) Mg(1)-Mg(2) bond length. There is one shorter (2.27 Å) and one longer (3.04 Å) Mg(1)-Cr(1) bond length. There is one shorter (3.29 Å) and one longer (3.38 Å) Mg(1)-Sb(1) bond length. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Cr(1) atoms. There is one shorter (2.47 Å) and one longer (2.53 Å) Mg(2)-Cr(1) bond length. Cr(1) is bonded in a 1-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and one Sb(1) atom. The Cr(1)-Sb(1) bond length is 1.96 Å. Sb(1) is bonded in a single-bond geometry to two equivalent Mg(1) and one Cr(1) atom.