data_[Ba1Mn2Cd1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Cd  1.6900  1.5500  1.0900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2478]
_cell_length_b [8.1001]
_cell_length_c [6.4587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaMn2CdCl8]
_chemical_formula_sum '[Ba1 Mn2 Cd1 Cl8]'
_cell_volume [326.7141]
_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  0.0000  0.5000  0.0000  1.0
  Mn  Mn1  2  0.5000  0.2371  0.5000  1.0
  Cd  Cd2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2576  0.2193  0.1801  1.0
  Cl  Cl4  2  0.2773  0.0000  0.6575  1.0
  Cl  Cl5  2  0.2936  0.5000  0.6310  1.0
]