data_LaGe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   135.05
_cell_angle_beta   135.05
_cell_angle_gamma   65.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGe2W
_chemical_formula_sum   'La1 Ge2 W1'
_cell_volume   83.54
_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  0.66  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.12  0.0  0.33  1.0
  W  W3  1  0.0  0.12  0.33  1.0

data_LaGe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   5.54
_cell_angle_alpha   112.48
_cell_angle_beta   112.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGe2W
_chemical_formula_sum   'La1 Ge2 W1'
_cell_volume   83.54
_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  La0  1  0.66  0.66  0.66  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.33  0.21  0.21  1.0
  W  W3  1  0.21  0.33  0.21  1.0

La Ge Ge W
La Ge Ge W 0 3 o o o 0 2 o o o 0 1 o o + 1 3 o o o 1 2 o o o 2 3 o o o 