data_YMnSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   3.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnSi2
_chemical_formula_sum   'Y1 Mn1 Si2'
_cell_volume   66.55
_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  Y3  1  0.74  0.0  0.0  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.37  0.8  0.69  1.0
  Si  Si2  1  0.37  0.2  0.69  1.0

data_YMnSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   105.4
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnSi2
_chemical_formula_sum   'Y1 Mn1 Si2'
_cell_volume   66.55
_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  0.0  0.74  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.69  0.37  0.2  1.0
  Si  Si3  1  0.69  0.37  0.8  1.0

Y Mn Si Si
YMnSi2 crystallizes in the triclinic P1 space group. Y(1) is bonded in a 2-coordinate geometry to one Mn(1), one Si(1), and two equivalent Si(2) atoms. The Y(1)-Mn(1) bond length is 1.18 Å. The Y(1)-Si(1) bond length is 1.98 Å. There is one shorter (2.35 Å) and one longer (3.14 Å) Y(1)-Si(2) bond length. Mn(1) is bonded in a 2-coordinate geometry to one Y(1) and two equivalent Si(2) atoms. There is one shorter (1.98 Å) and one longer (2.87 Å) Mn(1)-Si(2) bond length. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 1-coordinate geometry to one Y(1) and two equivalent Si(2) atoms. There is one shorter (1.83 Å) and one longer (2.69 Å) Si(1)-Si(2) bond length. In the second Si site, Si(2) is bonded in a 6-coordinate geometry to two equivalent Y(1), two equivalent Mn(1), and two equivalent Si(1) atoms.