data_La2MgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   138.44
_cell_angle_beta   124.66
_cell_angle_gamma   71.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MgPd
_chemical_formula_sum   'La2 Mg1 Pd1'
_cell_volume   112.29
_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  0.11  0.0  0.78  1.0
  La  La1  1  0.0  0.76  0.04  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.82  1.0

data_La2MgPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   5.52
_cell_length_c   5.94
_cell_angle_alpha   117.67
_cell_angle_beta   110.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MgPd
_chemical_formula_sum   'La2 Mg1 Pd1'
_cell_volume   112.29
_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  0.33  0.22  0.33  1.0
  La  La1  1  0.96  0.72  0.72  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.18  0.18  0.18  1.0

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