data_MnSnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   151.12
_cell_angle_beta   136.87
_cell_angle_gamma   52.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSnAs2
_chemical_formula_sum   'Mn1 Sn1 As2'
_cell_volume   81.84
_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  Mn2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.64  1.0
  As  As0  1  0.57  0.0  0.95  1.0
  As  As1  1  0.0  0.31  0.69  1.0

data_MnSnAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.63
_cell_length_c   6.29
_cell_angle_alpha   111.57
_cell_angle_beta   104.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSnAs2
_chemical_formula_sum   'Mn1 Sn1 As2'
_cell_volume   81.84
_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  Mn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.64  0.64  1.0
  As  As2  1  0.0  0.95  0.38  1.0
  As  As3  1  0.69  0.38  0.38  1.0

Mn Sn As As
MnSnAs2 crystallizes in the triclinic P1 space group. Mn(1) is bonded in a 4-coordinate geometry to one Sn(1), one As(1), and two equivalent As(2) atoms. The Mn(1)-Sn(1) bond length is 2.28 Å. The Mn(1)-As(1) bond length is 2.48 Å. There is one shorter (2.78 Å) and one longer (2.79 Å) Mn(1)-As(2) bond length. Sn(1) is bonded in a 3-coordinate geometry to one Mn(1), one As(1), and one As(2) atom. The Sn(1)-As(1) bond length is 2.54 Å. The Sn(1)-As(2) bond length is 1.68 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 3-coordinate geometry to one Mn(1), one Sn(1), and one As(2) atom. The As(1)-As(2) bond length is 2.23 Å. In the second As site, As(2) is bonded in a distorted single-bond geometry to two equivalent Mn(1), one Sn(1), and one As(1) atom.