data_[Rb1Ba2Mn1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4613]
_cell_length_b [7.1276]
_cell_length_c [8.8698]
_cell_angle_alpha [108.0325]
_cell_angle_beta [92.4045]
_cell_angle_gamma [98.0897]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbBa2MnCl8]
_chemical_formula_sum '[Rb1 Ba2 Mn1 Cl8]'
_cell_volume [382.9653]
_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
[
  Rb  Rb0  1  0.0000  0.0000  0.5000  1.0
  Ba  Ba1  2  0.4753  0.6238  0.7822  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0032  0.2587  0.2355  1.0
  Cl  Cl4  2  0.2427  0.2712  0.8921  1.0
  Cl  Cl5  2  0.2858  0.9148  0.1040  1.0
  Cl  Cl6  2  0.4157  0.7284  0.4774  1.0
]