data_[Ba2Zr4Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zr  1.3300  1.5500  0.8600
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6523]
_cell_length_b [3.6916]
_cell_length_c [7.2335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaZr2Sb]
_chemical_formula_sum '[Ba2 Zr4 Sb2]'
_cell_volume [255.0731]
_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  0.4813  0.0000  0.4871  1
  Zr  Zr1  2  0.0118  0.0000  0.9739  1
  Zr  Zr2  2  0.2703  0.0000  0.8635  1
  Sb  Sb3  2  0.2366  0.5000  0.1755  1
]