data_MnCr2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.74
_cell_length_b   7.74
_cell_length_c   7.74
_cell_angle_alpha   20.59
_cell_angle_beta   20.59
_cell_angle_gamma   20.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2As
_chemical_formula_sum   'Mn1 Cr2 As1'
_cell_volume   50.16
_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
  Mn  Mn3  1  0.0  0.0  0.28  1.0
  Cr  Cr1  1  0.0  0.0  0.1  1.0
  Cr  Cr2  1  0.0  0.0  0.04  1.0
  As  As0  1  0.0  0.0  0.66  1.0

data_MnCr2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.79
_cell_length_b   2.77
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   101.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnCr2As
_chemical_formula_sum   'Mn2 Cr4 As2'
_cell_volume   100.31
_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
  Mn  Mn0  2  0.0  0.0  0.72  1.0
  Cr  Cr1  2  0.0  0.0  0.9  1.0
  Cr  Cr2  2  0.0  0.0  0.96  1.0
  As  As3  2  0.0  0.0  0.34  1.0

Mn Cr Cr As
Cr2MnAs crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a linear geometry to one Cr(2) and one Mn(1) atom. The Cr(1)-Cr(2) bond length is 0.44 Å. The Cr(1)-Mn(1) bond length is 1.40 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to one Cr(1) and one As(1) atom. The Cr(2)-As(1) bond length is 2.96 Å. Mn(1) is bonded in a distorted single-bond geometry to one Cr(1) and one As(1) atom. The Mn(1)-As(1) bond length is 2.94 Å. As(1) is bonded to one Cr(2), one Mn(1), and six equivalent As(1) atoms to form a mixture of distorted edge and corner-sharing AsMnCrAs6 hexagonal bipyramids. All As(1)-As(1) bond lengths are 2.77 Å.