data_ScTaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   134.63
_cell_angle_beta   134.63
_cell_angle_gamma   66.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaPt2
_chemical_formula_sum   'Sc1 Ta1 Pt2'
_cell_volume   67.92
_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  Sc2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.98  0.0  0.16  1.0
  Pt  Pt0  1  0.0  0.0  0.31  1.0
  Pt  Pt1  1  0.0  0.98  0.16  1.0

data_ScTaPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   123.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScTaPt2
_chemical_formula_sum   'Sc2 Ta2 Pt4'
_cell_volume   135.84
_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
  Ta  Ta1  2  0.34  0.5  0.83  1.0
  Pt  Pt2  2  0.19  0.5  0.69  1.0
  Pt  Pt3  2  0.34  0.5  0.83  1.0

Sc Ta Pt Pt
Sc Ta Pt Pt 0 1 - o o 0 3 o - o 1 3 + - o 1 2 + o o 2 3 o - o 