data_MgScPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   130.3
_cell_angle_beta   124.75
_cell_angle_gamma   77.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScPd2
_chemical_formula_sum   'Mg1 Sc1 Pd2'
_cell_volume   67.38
_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  0.0  0.0  1.0
  Sc  Sc3  1  0.0  0.0  0.75  1.0
  Pd  Pd1  1  0.02  0.0  0.84  1.0
  Pd  Pd2  1  0.0  0.23  0.9  1.0

data_MgScPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.45
_cell_length_c   4.8
_cell_angle_alpha   117.62
_cell_angle_beta   114.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScPd2
_chemical_formula_sum   'Mg1 Sc1 Pd2'
_cell_volume   67.38
_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  0.0  0.0  1.0
  Sc  Sc1  1  0.25  0.25  0.25  1.0
  Pd  Pd2  1  0.1  0.33  0.33  1.0
  Pd  Pd3  1  0.17  0.16  0.17  1.0

Mg Sc Pd Pd