data_[Ba8Ca2In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [10.3076]
_cell_length_b [10.3076]
_cell_length_c [7.4085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Ba4CaIn4]
_chemical_formula_sum '[Ba8 Ca2 In8]'
_cell_volume [787.1237]
_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
[
  Ba  Ba0  8  0.0828  0.2876  0.6344  1
  Ca  Ca1  2  0.0000  0.0000  0.0000  1
  In  In2  8  0.1245  0.2524  0.1552  1
]