data_[Mg2In8Pd14]
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 [11.1523]
_cell_length_b [4.8482]
_cell_length_c [9.7194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgIn4Pd7]
_chemical_formula_sum '[Mg2 In8 Pd14]'
_cell_volume [451.5305]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.0000  1
  In  In1  4  0.0869  0.5000  0.7757  1
  In  In2  4  0.2409  0.5000  0.3292  1
  Pd  Pd3  4  0.0744  0.0000  0.3243  1
  Pd  Pd4  4  0.1368  0.5000  0.5294  1
  Pd  Pd5  4  0.2092  0.0000  0.9106  1
  Pd  Pd6  2  0.0000  0.5000  0.0000  1
]