data_MgGaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.35
_cell_length_c   3.13
_cell_angle_alpha   77.85
_cell_angle_beta   73.83
_cell_angle_gamma   28.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaGe
_chemical_formula_sum   'Mg1 Ga1 Ge1'
_cell_volume   58.38
_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  0.05  0.37  0.99  1.0
  Ga  Ga0  1  0.05  0.37  0.06  1.0
  Ge  Ge1  1  0.05  0.37  0.96  1.0

data_MgGaGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.09
_cell_length_b   12.01
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   130.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgGaGe
_chemical_formula_sum   'Mg2 Ga2 Ge2'
_cell_volume   116.76
_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  0.49  0.5  0.04  1.0
  Ga  Ga1  2  0.06  0.0  0.11  1.0
  Ge  Ge2  2  0.46  0.5  0.01  1.0

Mg Ga Ge
Mg Ga Ge 0 2 o o o 0 1 o o + 