data_Mn2GaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34
_cell_length_b   8.34
_cell_length_c   8.34
_cell_angle_alpha   19.59
_cell_angle_beta   19.59
_cell_angle_gamma   19.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2GaGe
_chemical_formula_sum   'Mn2 Ga1 Ge1'
_cell_volume   57.08
_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
  Mn  Mn2  1  0.0  0.0  0.42  1.0
  Mn  Mn3  1  0.0  0.0  0.12  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.27  1.0

data_Mn2GaGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.92
_cell_length_b   2.84
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   101.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2GaGe
_chemical_formula_sum   'Mn4 Ga2 Ge2'
_cell_volume   114.16
_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
  Mn  Mn0  2  0.0  0.0  0.58  1.0
  Mn  Mn1  2  0.0  0.0  0.88  1.0
  Ga  Ga2  2  0.0  0.0  0.0  1.0
  Ge  Ge3  2  0.0  0.0  0.73  1.0

Mn Mn Ga Ge
Mn Mn Ga Ge 0 3 o o o 1 2 o o o 1 3 o o o 