data_Mg2MoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   5.21
_cell_angle_alpha   100.75
_cell_angle_beta   100.75
_cell_angle_gamma   33.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MoPd
_chemical_formula_sum   'Mg2 Mo1 Pd1'
_cell_volume   67.73
_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  Mg0  1  0.92  0.0  0.29  1.0
  Mg  Mg1  1  0.52  0.0  0.82  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.22  0.0  0.55  1.0

data_Mg2MoPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.93
_cell_length_c   5.21
_cell_angle_alpha   100.75
_cell_angle_beta   90.0
_cell_angle_gamma   106.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MoPd
_chemical_formula_sum   'Mg2 Mo1 Pd1'
_cell_volume   67.73
_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  Mg0  1  0.0  0.08  0.71  1.0
  Mg  Mg1  1  0.0  0.48  0.18  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.78  0.45  1.0

Mg Mg Mo Pd