data_LaMn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   5.29
_cell_angle_alpha   107.06
_cell_angle_beta   107.06
_cell_angle_gamma   41.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Pd
_chemical_formula_sum   'La1 Mn2 Pd1'
_cell_volume   77.9
_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  0.68  0.0  0.51  1.0
  Mn  Mn1  1  0.92  0.0  0.51  1.0
  Mn  Mn2  1  0.43  0.0  0.51  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_LaMn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.82
_cell_length_c   5.29
_cell_angle_alpha   107.06
_cell_angle_beta   90.0
_cell_angle_gamma   110.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Pd
_chemical_formula_sum   'La1 Mn2 Pd1'
_cell_volume   77.9
_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  0.32  0.49  1.0
  Mn  Mn1  1  0.0  0.08  0.49  1.0
  Mn  Mn2  1  0.0  0.57  0.49  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

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