data_ScPt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   99.89
_cell_angle_beta   99.89
_cell_angle_gamma   131.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPt4
_chemical_formula_sum   'Sc1 Pt4'
_cell_volume   81.16
_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  Sc4  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.25  0.77  0.0  1.0
  Pt  Pt1  1  0.91  0.38  0.03  1.0
  Pt  Pt2  1  0.54  0.25  0.0  1.0
  Pt  Pt3  1  0.62  0.91  0.03  1.0

data_ScPt4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   80.11
_cell_angle_beta   65.51
_cell_angle_gamma   65.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPt4
_chemical_formula_sum   'Sc1 Pt4'
_cell_volume   81.16
_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  Sc0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.25  0.0  0.3  1.0
  Pt  Pt2  1  0.35  0.03  0.53  1.0
  Pt  Pt3  1  0.77  0.0  0.47  1.0
  Pt  Pt4  1  0.88  0.03  0.7  1.0

Sc Pt Pt Pt Pt
Sc Pt Pt Pt Pt 0 4 - - o 0 1 o - o 0 3 o o o 1 2 - o o 1 3 o + o 1 4 o o o 2 3 o o o 2 4 o - o 