data_[Ba4Sr2Ca4In10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [12.1582]
_cell_length_b [12.1582]
_cell_length_c [4.6716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ba2SrCa2In5]
_chemical_formula_sum '[Ba4 Sr2 Ca4 In10]'
_cell_volume [690.5582]
_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  4  0.1761  0.3239  0.0000  1
  Sr  Sr1  2  0.0000  0.0000  0.0000  1
  Ca  Ca2  4  0.1228  0.6228  0.0000  1
  In  In3  8  0.0587  0.8014  0.5000  1
  In  In4  2  0.0000  0.5000  0.5000  1
]