data_[Mg5In1Pd4]
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 [P4/mmm]
_cell_length_a [3.1079]
_cell_length_b [3.1079]
_cell_length_c [18.1736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Mg5InPd4]
_chemical_formula_sum '[Mg5 In1 Pd4]'
_cell_volume [175.5341]
_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  2  0.5000  0.5000  0.1294  1.0
  Mg  Mg1  2  0.5000  0.5000  0.3143  1.0
  Mg  Mg2  1  0.5000  0.5000  0.5000  1.0
  In  In3  1  0.0000  0.0000  0.0000  1.0
  Pd  Pd4  2  0.0000  0.0000  0.2202  1.0
  Pd  Pd5  2  0.0000  0.0000  0.4072  1.0
]