data_MgAgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   127.56
_cell_angle_beta   127.56
_cell_angle_gamma   77.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAgPd2
_chemical_formula_sum   'Mg1 Ag1 Pd2'
_cell_volume   65.51
_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  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.71  1.0
  Pd  Pd2  1  0.1  0.0  0.86  1.0
  Pd  Pd3  1  0.0  0.1  0.86  1.0

data_MgAgPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   128.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgAgPd2
_chemical_formula_sum   'Mg2 Ag2 Pd4'
_cell_volume   131.02
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  0.29  0.0  0.29  1.0
  Pd  Pd2  4  0.19  0.05  0.24  1.0

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