data_[Mn4In4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [14.0257]
_cell_length_b [4.1421]
_cell_length_c [5.6343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnInPd3]
_chemical_formula_sum '[Mn4 In4 Pd12]'
_cell_volume [326.6590]
_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
[
  Mn  Mn0  4  0.1996  0.0000  0.8465  1.0
  In  In1  4  0.1042  0.5000  0.5258  1.0
  Pd  Pd2  4  0.0059  0.0000  0.7540  1.0
  Pd  Pd3  4  0.1080  0.5000  0.0316  1.0
  Pd  Pd4  4  0.2042  0.0000  0.3295  1.0
]