data_MgSn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.18
_cell_angle_alpha   101.47
_cell_angle_beta   101.47
_cell_angle_gamma   35.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSn2Pd
_chemical_formula_sum   'Mg1 Sn2 Pd1'
_cell_volume   85.67
_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  0.72  0.0  0.6  1.0
  Sn  Sn2  1  0.96  0.0  0.92  1.0
  Sn  Sn3  1  0.4  0.0  0.41  1.0
  Pd  Pd1  1  0.75  0.0  0.73  1.0

data_MgSn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.18
_cell_length_c   5.37
_cell_angle_alpha   101.47
_cell_angle_beta   107.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSn2Pd
_chemical_formula_sum   'Mg1 Sn2 Pd1'
_cell_volume   85.67
_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  0.6  0.72  1.0
  Sn  Sn1  1  0.0  0.41  0.4  1.0
  Sn  Sn2  1  0.0  0.92  0.96  1.0
  Pd  Pd3  1  0.0  0.73  0.75  1.0

Mg Sn Sn Pd
Mg Sn Sn Pd 0 3 o o o 0 2 o o o 1 3 o o o 