data_[Ba1Na2Mn1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.9398]
_cell_length_b [8.6403]
_cell_length_c [6.9828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaNa2MnCl8]
_chemical_formula_sum '[Ba1 Na2 Mn1 Cl8]'
_cell_volume [333.5728]
_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
  Na  Na1  2  0.0000  0.2483  0.5000  1
  Mn  Mn2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.2464  0.1879  0.2081  1
  Cl  Cl4  2  0.2176  0.0000  0.7919  1
  Cl  Cl5  2  0.2817  0.5000  0.7105  1
]