data_ZrScPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   134.95
_cell_angle_beta   134.95
_cell_angle_gamma   65.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScPt2
_chemical_formula_sum   'Zr1 Sc1 Pt2'
_cell_volume   71.98
_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
  Zr  Zr3  1  0.02  0.0  0.21  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.0  0.0  0.42  1.0
  Pt  Pt1  1  0.0  0.02  0.21  1.0

data_ZrScPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   5.26
_cell_angle_alpha   112.53
_cell_angle_beta   112.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScPt2
_chemical_formula_sum   'Zr1 Sc1 Pt2'
_cell_volume   71.98
_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
  Zr  Zr0  1  0.21  0.2  0.2  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.2  0.21  0.2  1.0
  Pt  Pt3  1  0.42  0.42  0.42  1.0

Zr Sc Pt Pt
Zr Sc Pt Pt 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 