data_[Ba1Co2Sb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Co  1.8800  1.3500  0.7683
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.8315]
_cell_length_b [4.1042]
_cell_length_c [5.3910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BaCo2Sb]
_chemical_formula_sum '[Ba1 Co2 Sb1]'
_cell_volume [103.5600]
_cell_formula_units_Z [1]
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  1  0.8110  0.5000  0.2438  1
  Co  Co1  1  0.0004  0.0000  0.7939  1
  Co  Co2  1  0.2155  0.5000  0.7944  1
  Sb  Sb3  1  0.4731  0.0000  0.6679  1
]