data_LaAg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89
_cell_length_b   9.89
_cell_length_c   9.89
_cell_angle_alpha   19.18
_cell_angle_beta   19.18
_cell_angle_gamma   19.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAg2Ge
_chemical_formula_sum   'La1 Ag2 Ge1'
_cell_volume   91.35
_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  0.56  1.0
  Ag  Ag0  1  0.0  0.0  0.52  1.0
  Ag  Ag1  1  0.0  0.0  0.6  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_LaAg2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.71
_cell_length_b   3.3
_cell_length_c   9.89
_cell_angle_alpha   90.0
_cell_angle_beta   101.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaAg2Ge
_chemical_formula_sum   'La2 Ag4 Ge2'
_cell_volume   182.69
_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  0.44  1.0
  Ag  Ag1  2  0.0  0.0  0.4  1.0
  Ag  Ag2  2  0.0  0.0  0.48  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

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