data_MgBePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   132.21
_cell_angle_beta   121.5
_cell_angle_gamma   78.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBePd2
_chemical_formula_sum   'Mg1 Be1 Pd2'
_cell_volume   56.11
_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  0.48  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.83  0.0  0.52  1.0
  Pd  Pd3  1  0.0  0.2  0.97  1.0

data_MgBePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   4.41
_cell_length_c   4.51
_cell_angle_alpha   119.25
_cell_angle_beta   113.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBePd2
_chemical_formula_sum   'Mg1 Be1 Pd2'
_cell_volume   56.11
_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  0.48  0.48  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.52  0.69  1.0
  Pd  Pd3  1  0.8  0.76  0.76  1.0

Mg Be Pd Pd
Mg Be Pd Pd 0 2 - o o 1 3 o o - 