data_YMg2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   5.04
_cell_angle_alpha   113.49
_cell_angle_beta   113.49
_cell_angle_gamma   31.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2Pd
_chemical_formula_sum   'Y1 Mg2 Pd1'
_cell_volume   89.36
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Mg  Mg0  1  0.96  0.0  0.24  1.0
  Mg  Mg1  1  0.74  0.0  0.35  1.0
  Pd  Pd2  1  0.85  0.0  0.3  1.0

data_YMg2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.04
_cell_length_c   6.12
_cell_angle_alpha   113.49
_cell_angle_beta   105.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2Pd
_chemical_formula_sum   'Y1 Mg2 Pd1'
_cell_volume   89.36
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.24  0.96  1.0
  Mg  Mg2  1  0.0  0.35  0.74  1.0
  Pd  Pd3  1  0.0  0.3  0.85  1.0

Y Mg Mg Pd