data_LaGaGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   133.87
_cell_angle_beta   133.87
_cell_angle_gamma   67.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGaGe2
_chemical_formula_sum   'La1 Ga1 Ge2'
_cell_volume   89.0
_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
  La  La3  1  0.0  0.0  0.65  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.19  0.0  0.32  1.0
  Ge  Ge2  1  0.0  0.19  0.32  1.0

data_LaGaGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   123.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaGaGe2
_chemical_formula_sum   'La2 Ga2 Ge4'
_cell_volume   178.0
_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
  La  La0  2  0.35  0.0  0.35  1.0
  Ga  Ga1  2  0.0  0.0  0.0  1.0
  Ge  Ge2  4  0.27  0.41  0.86  1.0

La Ga Ge Ge