data_[Ba4In4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [12.9109]
_cell_length_b [4.7269]
_cell_length_c [6.0648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaInPd]
_chemical_formula_sum '[Ba4 In4 Pd4]'
_cell_volume [363.7247]
_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
[
  Ba  Ba0  4  0.1184  0.0000  0.3150  1.0
  In  In1  4  0.0998  0.5000  0.8176  1.0
  Pd  Pd2  4  0.2072  0.0000  0.8690  1.0
]