data_Mg2GePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   3.81
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GePt
_chemical_formula_sum   'Mg2 Ge1 Pt1'
_cell_volume   68.35
_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  Mg1  1  0.5  0.91  0.58  1.0
  Mg  Mg2  1  0.5  0.91  0.41  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.99  1.0

data_Mg2GePt
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   2.99
_cell_length_b   5.98
_cell_length_c   3.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   Mg2GePt
_chemical_formula_sum   'Mg2 Ge1 Pt1'
_cell_volume   68.35
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  2  0.5  0.42  0.09  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0

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