data_Mg2ScPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.46
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   91.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ScPt
_chemical_formula_sum   'Mg2 Sc1 Pt1'
_cell_volume   78.16
_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
  Mg  Mg0  1  0.01  0.73  0.05  1.0
  Mg  Mg1  1  0.65  0.0  0.84  1.0
  Sc  Sc3  1  0.53  0.0  0.77  1.0
  Pt  Pt2  1  0.24  0.73  0.42  1.0

data_Mg2ScPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.46
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   91.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ScPt
_chemical_formula_sum   'Mg2 Sc1 Pt1'
_cell_volume   78.16
_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
  Mg  Mg0  1  0.01  0.73  0.05  1.0
  Mg  Mg1  1  0.65  0.0  0.84  1.0
  Sc  Sc2  1  0.53  0.0  0.77  1.0
  Pt  Pt3  1  0.24  0.73  0.42  1.0

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