data_Mg3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   137.63
_cell_angle_beta   129.86
_cell_angle_gamma   67.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Pt
_chemical_formula_sum   'Mg3 Pt1'
_cell_volume   72.04
_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  0.21  0.01  1.0
  Mg  Mg1  1  0.88  0.0  0.32  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.33  1.0

data_Mg3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.42
_cell_length_c   5.21
_cell_angle_alpha   115.07
_cell_angle_beta   111.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Pt
_chemical_formula_sum   'Mg3 Pt1'
_cell_volume   72.04
_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
  Mg  Mg1  1  0.0  0.32  0.43  1.0
  Mg  Mg2  1  0.79  0.81  0.81  1.0
  Pt  Pt3  1  0.0  0.33  0.33  1.0

Mg Mg Mg Pt