data_LaGePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   45.8
_cell_angle_beta   45.8
_cell_angle_gamma   45.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGePd2
_chemical_formula_sum   'La1 Ge1 Pd2'
_cell_volume   84.57
_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  La1  1  0.0  0.0  0.57  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.74  1.0
  Pd  Pd3  1  0.0  0.0  0.4  1.0

data_LaGePd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.62
_cell_length_b   4.4
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   116.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaGePd2
_chemical_formula_sum   'La2 Ge2 Pd4'
_cell_volume   169.14
_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  0.57  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  2  0.0  0.0  0.4  1.0
  Pd  Pd3  2  0.0  0.0  0.74  1.0

La Ge Pd Pd
La Ge Pd Pd 0 3 o o o 0 2 o o o 1 2 o o - 