data_BaMn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   6.51
_cell_angle_alpha   108.53
_cell_angle_beta   108.53
_cell_angle_gamma   56.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Pd
_chemical_formula_sum   'Ba1 Mn2 Pd1'
_cell_volume   96.4
_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
  Ba  Ba0  1  0.15  0.0  0.52  1.0
  Mn  Mn1  1  0.32  0.0  0.96  1.0
  Mn  Mn2  1  0.16  0.0  0.83  1.0
  Pd  Pd3  1  0.72  0.0  0.86  1.0

data_BaMn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.36
_cell_length_c   6.51
_cell_angle_alpha   108.53
_cell_angle_beta   90.0
_cell_angle_gamma   118.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Pd
_chemical_formula_sum   'Ba1 Mn2 Pd1'
_cell_volume   96.4
_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
  Ba  Ba0  1  0.0  0.85  0.48  1.0
  Mn  Mn1  1  0.0  0.68  0.04  1.0
  Mn  Mn2  1  0.0  0.84  0.17  1.0
  Pd  Pd3  1  0.0  0.28  0.14  1.0

Ba Mn Mn Pd