data_MgGe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.92
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGe2Pt
_chemical_formula_sum   'Mg1 Ge2 Pt1'
_cell_volume   68.9
_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  Mg2  1  0.0  0.0  0.88  1.0
  Ge  Ge0  1  0.0  0.0  0.63  1.0
  Ge  Ge1  1  0.56  0.96  0.41  1.0
  Pt  Pt3  1  0.56  0.96  0.17  1.0

data_MgGe2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.92
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGe2Pt
_chemical_formula_sum   'Mg1 Ge2 Pt1'
_cell_volume   68.9
_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  0.88  1.0
  Ge  Ge1  1  0.0  0.0  0.63  1.0
  Ge  Ge2  1  0.56  0.96  0.41  1.0
  Pt  Pt3  1  0.56  0.96  0.17  1.0

Mg Ge Ge Pt
Mg Ge Ge Pt 0 1 o o o 2 3 o o o 