data_[Sr4In2B2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.9375]
_cell_length_b [8.9326]
_cell_length_c [7.5554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Sr2InBPd6]
_chemical_formula_sum '[Sr4 In2 B2 Pd12]'
_cell_volume [400.7146]
_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
[
  Sr  Sr0  4  0.0000  0.2172  0.2895  1.0
  In  In1  2  0.0000  0.5000  0.6687  1.0
  B  B2  2  0.0000  0.0000  0.8302  1.0
  Pd  Pd3  4  0.0000  0.2375  0.8659  1.0
  Pd  Pd4  4  0.2312  0.5000  0.9907  1.0
  Pd  Pd5  4  0.2376  0.0000  0.6218  1.0
]