data_Mg4Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33
_cell_length_b   8.33
_cell_length_c   8.33
_cell_angle_alpha   154.54
_cell_angle_beta   154.54
_cell_angle_gamma   36.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Pt
_chemical_formula_sum   'Mg4 Pt1'
_cell_volume   106.62
_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  0.84  0.0  0.96  1.0
  Mg  Mg1  1  0.0  0.0  0.56  1.0
  Mg  Mg2  1  0.0  0.0  0.27  1.0
  Mg  Mg3  1  0.0  0.84  0.96  1.0
  Pt  Pt4  1  0.0  0.0  0.0  1.0

data_Mg4Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   108.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg4Pt
_chemical_formula_sum   'Mg8 Pt2'
_cell_volume   213.24
_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  4  0.04  0.08  0.12  1.0
  Mg  Mg1  2  0.06  0.5  0.56  1.0
  Mg  Mg2  2  0.27  0.0  0.27  1.0
  Pt  Pt3  2  0.0  0.0  0.0  1.0

Mg Mg Mg Mg Pt