data_La2BeGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BeGe
_chemical_formula_sum   'La2 Be1 Ge1'
_cell_volume   115.95
_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  0.6  1.0
  La  La3  1  0.15  0.15  0.21  1.0
  Be  Be0  1  0.0  0.0  0.59  1.0
  Ge  Ge1  1  0.15  0.15  0.24  1.0

data_La2BeGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2BeGe
_chemical_formula_sum   'La4 Be2 Ge2'
_cell_volume   231.89
_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  0.0  0.0  0.6  1.0
  La  La1  2  0.15  0.0  0.21  1.0
  Be  Be2  2  0.0  0.0  0.59  1.0
  Ge  Ge3  2  0.15  0.0  0.24  1.0

La La Be Ge
La La Be Ge 0 2 o o o 1 3 o o o 