data_CaLaScPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLaScPt
_chemical_formula_sum   'Ca1 La1 Sc1 Pt1'
_cell_volume   98.0
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.49  0.49  0.49  1.0
  Sc  Sc3  1  0.83  0.83  0.83  1.0
  Pt  Pt2  1  0.66  0.66  0.66  1.0

data_CaLaScPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaLaScPt
_chemical_formula_sum   'Ca3 La3 Sc3 Pt3'
_cell_volume   293.99
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ca  Ca0  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.51  1.0
  Sc  Sc2  3  0.0  0.0  0.17  1.0
  Pt  Pt3  3  0.0  0.0  0.34  1.0

Ca La Sc Pt
CaLaScPt crystallizes in the trigonal R3m space group. Ca(1) is bonded to one Sc(1) and three equivalent Pt(1) atoms to form distorted CaScPt3 trigonal pyramids that share  a cornercorner with one Pt(1)Ca3LaSc trigonal bipyramid and corners with six equivalent Ca(1)ScPt3 trigonal pyramids. The Ca(1)-Sc(1) bond length is 2.16 Å. All Ca(1)-Pt(1) bond lengths are 2.99 Å. La(1) is bonded in a distorted single-bond geometry to one Pt(1) atom. The La(1)-Pt(1) bond length is 2.16 Å. Sc(1) is bonded in a 2-coordinate geometry to one Ca(1) and one Pt(1) atom. The Sc(1)-Pt(1) bond length is 2.16 Å. Pt(1) is bonded to three equivalent Ca(1), one La(1), and one Sc(1) atom to form distorted PtCa3LaSc trigonal bipyramids that share corners with six equivalent Pt(1)Ca3LaSc trigonal bipyramids and  a cornercorner with one Ca(1)ScPt3 trigonal pyramid.