data_[Mg4In12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1555]
_cell_length_b [8.4376]
_cell_length_c [6.9173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgIn3Pd]
_chemical_formula_sum '[Mg4 In12 Pd4]'
_cell_volume [484.9350]
_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  0.0674  0.0000  0.7588  1
  In  In1  8  0.1866  0.2003  0.2263  1
  In  In2  4  0.0775  0.5000  0.8441  1
  Pd  Pd3  4  0.2496  0.0000  0.5944  1
]