data_BaSnMoPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnMoPt
_chemical_formula_sum   'Ba1 Sn1 Mo1 Pt1'
_cell_volume   95.13
_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
  Ba  Ba0  1  0.81  0.81  0.81  1.0
  Sn  Sn3  1  0.43  0.43  0.43  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.62  0.62  0.62  1.0

data_BaSnMoPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   12.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaSnMoPt
_chemical_formula_sum   'Ba3 Sn3 Mo3 Pt3'
_cell_volume   285.38
_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
  Ba  Ba0  3  0.0  0.0  0.19  1.0
  Sn  Sn1  3  0.0  0.0  0.57  1.0
  Mo  Mo2  3  0.0  0.0  0.0  1.0
  Pt  Pt3  3  0.0  0.0  0.38  1.0

Ba Sn Mo Pt
Ba Sn Mo Pt 0 3 o o o 0 2 + + + 0 1 + o o 0 1 o + o 0 1 o o + 1 2 o o + 1 2 o + o 1 2 + o o 1 3 o o o 2 3 - - o 2 3 - o - 2 3 o - - 
BaMoPtSn crystallizes in the trigonal R3m space group. Ba(1) is bonded in a distorted linear geometry to one Mo(1), one Pt(1), and three equivalent Sn(1) atoms. The Ba(1)-Mo(1) bond length is 2.36 Å. The Ba(1)-Pt(1) bond length is 2.36 Å. All Ba(1)-Sn(1) bond lengths are 3.01 Å. Mo(1) is bonded in a single-bond geometry to one Ba(1) atom. Pt(1) is bonded in a distorted linear geometry to one Ba(1) and one Sn(1) atom. The Pt(1)-Sn(1) bond length is 2.36 Å. Sn(1) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one Pt(1) atom.