data_[Ba2Mn2H4Cl16]
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
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8676]
_cell_length_b [7.5261]
_cell_length_c [8.3908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8347]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaMn(HCl4)2]
_chemical_formula_sum '[Ba2 Mn2 H4 Cl16]'
_cell_volume [676.1974]
_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  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  2  0.0000  0.0000  0.0000  1.0
  H  H2  4  0.2439  0.5000  0.7235  1.0
  Cl  Cl3  8  0.0043  0.2191  0.8104  1.0
  Cl  Cl4  4  0.2093  0.5000  0.5565  1.0
  Cl  Cl5  4  0.2134  0.0000  0.0534  1.0
]