data_MgScPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   126.25
_cell_angle_beta   126.25
_cell_angle_gamma   79.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScPt2
_chemical_formula_sum   'Mg1 Sc1 Pt2'
_cell_volume   67.1
_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  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.0  0.0  0.65  1.0
  Pt  Pt1  1  0.14  0.0  0.82  1.0
  Pt  Pt2  1  0.0  0.14  0.82  1.0

data_MgScPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   129.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgScPt2
_chemical_formula_sum   'Mg2 Sc2 Pt4'
_cell_volume   134.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Sc  Sc1  2  0.35  0.0  0.35  1.0
  Pt  Pt2  4  0.25  0.07  0.32  1.0

Mg Sc Pt Pt