data_ScMn2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn2Pt
_chemical_formula_sum   'Sc1 Mn2 Pt1'
_cell_volume   57.87
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.57  0.57  0.59  1.0
  Mn  Mn1  1  0.57  0.57  0.3  1.0
  Pt  Pt2  1  0.0  0.0  0.95  1.0

data_ScMn2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScMn2Pt
_chemical_formula_sum   'Sc2 Mn4 Pt2'
_cell_volume   115.74
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Mn  Mn1  2  0.07  0.5  0.3  1.0
  Mn  Mn2  2  0.07  0.5  0.59  1.0
  Pt  Pt3  2  0.0  0.0  0.95  1.0

Sc Mn Mn Pt
ScMn2Pt crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a single-bond geometry to four equivalent Mn(2) and one Pt(1) atom. There are a spread of Sc(1)-Mn(2) bond distances ranging from 2.61-3.07 Å. The Sc(1)-Pt(1) bond length is 0.32 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 9-coordinate geometry to one Mn(2), four equivalent Mn(1), and four equivalent Pt(1) atoms. The Mn(1)-Mn(2) bond length is 1.71 Å. All Mn(1)-Mn(1) bond lengths are 3.13 Å. There are a spread of Mn(1)-Pt(1) bond distances ranging from 2.84-3.27 Å. In the second Mn site, Mn(2) is bonded in a 9-coordinate geometry to four equivalent Sc(1), one Mn(1), and four equivalent Mn(2) atoms. All Mn(2)-Mn(2) bond lengths are 3.13 Å. Pt(1) is bonded in a single-bond geometry to one Sc(1) and four equivalent Mn(1) atoms.