data_MgBiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   147.88
_cell_angle_beta   147.88
_cell_angle_gamma   46.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBiPd
_chemical_formula_sum   'Mg1 Bi1 Pd1'
_cell_volume   64.89
_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
  Mg  Mg1  1  0.0  0.0  0.86  1.0
  Bi  Bi0  1  0.0  0.0  0.12  1.0
  Pd  Pd2  1  0.0  0.0  0.58  1.0

data_MgBiPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   113.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgBiPd
_chemical_formula_sum   'Mg2 Bi2 Pd2'
_cell_volume   129.78
_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
  Mg  Mg0  2  0.36  0.5  0.86  1.0
  Bi  Bi1  2  0.12  0.0  0.12  1.0
  Pd  Pd2  2  0.08  0.5  0.58  1.0

Mg Bi Pd
Mg Bi Pd 0 2 o o o 0 1 o o + 