data_MgGaGe2
_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   134.84
_cell_angle_beta   128.83
_cell_angle_gamma   70.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaGe2
_chemical_formula_sum   'Mg1 Ga1 Ge2'
_cell_volume   76.7
_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  Mg3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.25  1.0
  Ge  Ge1  1  0.0  0.25  0.07  1.0
  Ge  Ge2  1  0.0  0.0  0.18  1.0

data_MgGaGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.5
_cell_length_c   5.21
_cell_angle_alpha   115.59
_cell_angle_beta   112.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaGe2
_chemical_formula_sum   'Mg1 Ga1 Ge2'
_cell_volume   76.7
_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
  Ga  Ga1  1  0.75  0.75  0.75  1.0
  Ge  Ge2  1  0.82  0.82  0.82  1.0
  Ge  Ge3  1  0.93  0.18  0.18  1.0

Mg Ga Ge Ge