data_[Rb3Mn1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [7.0840]
_cell_length_b [7.5576]
_cell_length_c [7.9640]
_cell_angle_alpha [62.2927]
_cell_angle_beta [65.5422]
_cell_angle_gamma [63.7620]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb3MnCl6]
_chemical_formula_sum '[Rb3 Mn1 Cl6]'
_cell_volume [326.7199]
_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  2  0.2566  0.2168  0.2444  1.0
  Rb  Rb1  1  0.5000  0.5000  0.5000  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1191  0.2924  0.8319  1.0
  Cl  Cl4  2  0.2332  0.8618  0.6954  1.0
  Cl  Cl5  2  0.2949  0.8157  0.1320  1.0
]