data_[Ba4Sb1P1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.2090]
_cell_length_b [4.8169]
_cell_length_c [8.4045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4SbPCl2]
_chemical_formula_sum '[Ba4 Sb1 P1 Cl2]'
_cell_volume [312.1194]
_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  2  0.2674  0.0000  0.7402  1.0
  Ba  Ba1  2  0.2728  0.5000  0.2684  1.0
  Sb  Sb2  1  0.5000  0.5000  0.0000  1.0
  P  P3  1  0.5000  0.0000  0.5000  1.0
  Cl  Cl4  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl5  1  0.0000  0.5000  0.5000  1.0
]