data_[Mg4Ga4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9403]
_cell_length_b [3.1396]
_cell_length_c [4.6938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2333]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgGaPd]
_chemical_formula_sum '[Mg4 Ga4 Pd4]'
_cell_volume [202.1621]
_cell_formula_units_Z [4]
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  4  0.0711  0.0000  0.2842  1.0
  Ga  Ga1  4  0.2462  0.0000  0.7517  1.0
  Pd  Pd2  4  0.0987  0.5000  0.8055  1.0
]