data_[Mg28In8Pd4]
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/c]
_cell_length_a [14.4325]
_cell_length_b [8.4480]
_cell_length_c [9.5162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.1720]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg7In2Pd]
_chemical_formula_sum '[Mg28 In8 Pd4]'
_cell_volume [886.5729]
_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  8  0.1026  0.1212  0.6096  1
  Mg  Mg1  8  0.1292  0.2562  0.2862  1
  Mg  Mg2  8  0.2228  0.0928  0.0307  1
  Mg  Mg3  4  0.0000  0.3257  0.7500  1
  In  In4  8  0.1333  0.4669  0.5754  1
  Pd  Pd5  4  0.0000  0.0039  0.2500  1
]