data_Y2MgCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   4.89
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   104.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MgCr
_chemical_formula_sum   'Y2 Mg1 Cr1'
_cell_volume   95.41
_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
  Y  Y2  1  0.61  0.45  0.55  1.0
  Y  Y3  1  0.91  0.0  0.84  1.0
  Mg  Mg1  1  0.24  0.0  0.44  1.0
  Cr  Cr0  1  0.28  0.45  0.93  1.0

data_Y2MgCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.89
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   104.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MgCr
_chemical_formula_sum   'Y2 Mg1 Cr1'
_cell_volume   95.41
_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
  Y  Y0  1  0.61  0.45  0.55  1.0
  Y  Y1  1  0.91  0.0  0.84  1.0
  Mg  Mg2  1  0.24  0.0  0.44  1.0
  Cr  Cr3  1  0.28  0.45  0.93  1.0

Y Y Mg Cr
Y Y Mg Cr 0 2 o o o 0 2 o + o 0 2 + o o 0 3 o o o 0 3 + o o 0 0 + o o 0 1 o o o 0 1 o + o 1 2 o o o 1 2 + o o 1 3 o o o 1 3 + - o 1 3 + o o 1 1 + o o 2 2 + o o 
MgY2Cr crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 9-coordinate geometry to two equivalent Mg(1), three equivalent Y(2), and four equivalent Y(1) atoms. Both Mg(1)-Mg(1) bond lengths are 3.31 Å. There are a spread of Mg(1)-Y(2) bond distances ranging from 2.83-3.56 Å. There are a spread of Mg(1)-Y(1) bond distances ranging from 2.50-3.58 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 11-coordinate geometry to four equivalent Mg(1), two equivalent Y(1), two equivalent Y(2), and three equivalent Cr(1) atoms. Both Y(1)-Y(1) bond lengths are 3.31 Å. There is one shorter (2.83 Å) and one longer (3.26 Å) Y(1)-Y(2) bond length. There are a spread of Y(1)-Cr(1) bond distances ranging from 2.79-3.63 Å. In the second Y site, Y(2) is bonded in a 1-coordinate geometry to three equivalent Mg(1), two equivalent Y(1), and two equivalent Cr(1) atoms. There is one shorter (2.50 Å) and one longer (2.97 Å) Y(2)-Cr(1) bond length. Cr(1) is bonded in a 4-coordinate geometry to two equivalent Y(2) and three equivalent Y(1) atoms.