data_LaYVPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYVPt
_chemical_formula_sum   'La1 Y1 V1 Pt1'
_cell_volume   82.39
_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
  La  La0  1  0.18  0.18  0.18  1.0
  Y  Y3  1  0.45  0.45  0.45  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.73  0.73  0.73  1.0

data_LaYVPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   11.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaYVPt
_chemical_formula_sum   'La3 Y3 V3 Pt3'
_cell_volume   247.16
_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
  La  La0  3  0.0  0.0  0.82  1.0
  Y  Y1  3  0.0  0.0  0.55  1.0
  V  V2  3  0.0  0.0  0.0  1.0
  Pt  Pt3  3  0.0  0.0  0.27  1.0

La Y V Pt
La Y V Pt 0 2 o o o 0 1 o o o 0 1 o o - 0 1 o - o 0 1 - o o 0 3 o - - 0 3 - o - 0 3 - - o 1 2 o o + 1 2 o + o 1 2 + o o 1 3 - o o 1 3 o - o 1 3 o o - 1 3 o o o 2 3 o - - 2 3 - o - 2 3 - - o 2 3 - - - 
LaYVPt crystallizes in the trigonal R3m space group. La(1) is bonded in a single-bond geometry to four equivalent Y(1), one V(1), and three equivalent Pt(1) atoms. There are three shorter (2.91 Å) and one longer (3.27 Å) La(1)-Y(1) bond length. The La(1)-V(1) bond length is 2.16 Å. All La(1)-Pt(1) bond lengths are 3.17 Å. Y(1) is bonded in a 11-coordinate geometry to four equivalent La(1), three equivalent V(1), and four equivalent Pt(1) atoms. All Y(1)-V(1) bond lengths are 3.17 Å. There are three shorter (2.91 Å) and one longer (3.27 Å) Y(1)-Pt(1) bond length. V(1) is bonded in a distorted single-bond geometry to one La(1), three equivalent Y(1), and four equivalent Pt(1) atoms. There are three shorter (2.91 Å) and one longer (3.27 Å) V(1)-Pt(1) bond length. Pt(1) is bonded in a 11-coordinate geometry to three equivalent La(1), four equivalent Y(1), and four equivalent V(1) atoms.