data_BaMgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   121.48
_cell_angle_beta   121.48
_cell_angle_gamma   87.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgPd2
_chemical_formula_sum   'Ba1 Mg1 Pd2'
_cell_volume   95.46
_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  0.0  0.74  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.53  0.0  0.87  1.0
  Pd  Pd3  1  0.0  0.53  0.87  1.0

data_BaMgPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.15
_cell_length_b   7.15
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   133.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMgPd2
_chemical_formula_sum   'Ba2 Mg2 Pd4'
_cell_volume   190.92
_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
  Ba  Ba0  2  0.0  0.0  0.74  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  4  0.24  0.24  0.34  1.0

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