data_LaMgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgGe2
_chemical_formula_sum   'La1 Mg1 Ge2'
_cell_volume   89.62
_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  La2  1  0.0  0.0  0.41  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.53  0.0  0.36  1.0
  Ge  Ge1  1  0.53  0.0  0.46  1.0

data_LaMgGe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaMgGe2
_chemical_formula_sum   'La1 Mg1 Ge2'
_cell_volume   89.65
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  La0  1  0.0  0.0  0.41  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.53  0.0  0.36  1.0
  Ge  Ge3  1  0.53  0.0  0.46  1.0

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