data_[Ba4Ca2Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.9651]
_cell_length_b [5.2578]
_cell_length_c [14.0977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Ba2CaSb]
_chemical_formula_sum '[Ba4 Ca2 Sb2]'
_cell_volume [368.0268]
_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  2  0.0000  0.0000  0.9844  1.0
  Ba  Ba1  2  0.5000  0.0000  0.2878  1.0
  Ca  Ca2  2  0.0000  0.0000  0.6813  1.0
  Sb  Sb3  2  0.5000  0.0000  0.5454  1.0
]