data_Mg2InGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.4
_cell_length_b   9.4
_cell_length_c   9.4
_cell_angle_alpha   20.39
_cell_angle_beta   20.39
_cell_angle_gamma   20.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2InGe
_chemical_formula_sum   'Mg2 In1 Ge1'
_cell_volume   88.14
_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  0.07  1.0
  Mg  Mg3  1  0.0  0.0  0.52  1.0
  In  In1  1  0.0  0.0  0.8  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Mg2InGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   3.33
_cell_length_c   9.4
_cell_angle_alpha   90.0
_cell_angle_beta   101.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2InGe
_chemical_formula_sum   'Mg4 In2 Ge2'
_cell_volume   176.27
_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  0.93  1.0
  Mg  Mg1  2  -0.0  0.0  0.48  1.0
  In  In2  2  -0.0  0.0  0.2  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

Mg Mg In Ge
Mg Mg In Ge 0 3 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 2 3 o o + 