data_[Ba2Cu2Sb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3946]
_cell_length_b [7.3010]
_cell_length_c [6.4061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaCuSb3]
_chemical_formula_sum '[Ba2 Cu2 Sb6]'
_cell_volume [288.5452]
_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  0.2292  0.2500  0.2647  1.0
  Cu  Cu1  2  0.3733  0.7500  0.1197  1.0
  Sb  Sb2  4  0.2927  0.0006  0.7894  1.0
  Sb  Sb3  2  0.1127  0.7500  0.3831  1.0
]