data_Zr2ScPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   144.8
_cell_angle_beta   130.3
_cell_angle_gamma   62.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ScPt
_chemical_formula_sum   'Zr2 Sc1 Pt1'
_cell_volume   82.06
_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  Zr2  1  0.73  0.0  0.03  1.0
  Zr  Zr3  1  0.0  0.0  0.65  1.0
  Sc  Sc1  1  0.0  0.0  0.13  1.0
  Pt  Pt0  1  0.0  0.41  0.0  1.0

data_Zr2ScPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.82
_cell_length_c   5.74
_cell_angle_alpha   114.85
_cell_angle_beta   107.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2ScPt
_chemical_formula_sum   'Zr2 Sc1 Pt1'
_cell_volume   82.06
_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  0.0  0.03  0.29  1.0
  Zr  Zr1  1  0.0  0.65  0.65  1.0
  Sc  Sc2  1  0.0  0.13  0.13  1.0
  Pt  Pt3  1  0.59  0.59  0.59  1.0

Zr Zr Sc Pt