data_LaMnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.6
_cell_length_b   9.6
_cell_length_c   9.6
_cell_angle_alpha   17.5
_cell_angle_beta   17.5
_cell_angle_gamma   17.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnPd2
_chemical_formula_sum   'La1 Mn1 Pd2'
_cell_volume   69.82
_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  0.0  0.0  0.18  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.9  1.0
  Pd  Pd3  1  0.0  0.0  0.46  1.0

data_LaMnPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.06
_cell_length_b   2.92
_cell_length_c   9.6
_cell_angle_alpha   90.0
_cell_angle_beta   100.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaMnPd2
_chemical_formula_sum   'La2 Mn2 Pd4'
_cell_volume   139.65
_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  0.82  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  2  0.0  0.0  0.1  1.0
  Pd  Pd3  2  0.0  0.0  0.54  1.0

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