data_ScZnPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScZnPt2
_chemical_formula_sum   'Sc1 Zn1 Pt2'
_cell_volume   64.31
_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
  Zn  Zn3  1  0.0  0.0  0.92  1.0
  Pt  Pt0  1  0.31  0.0  0.32  1.0
  Pt  Pt1  1  0.31  0.0  0.52  1.0

data_ScZnPt2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScZnPt2
_chemical_formula_sum   'Sc1 Zn1 Pt2'
_cell_volume   64.34
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Zn  Zn1  1  0.0  0.0  0.92  1.0
  Pt  Pt2  1  0.31  0.0  0.32  1.0
  Pt  Pt3  1  0.31  0.0  0.52  1.0

Sc Zn Pt Pt
Sc Zn Pt Pt 0 1 o o - 2 3 o o o 