data_[Rb4Ca4Mn4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1296]
_cell_length_b [12.3089]
_cell_length_c [9.9706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0219]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbCaMnCl5]
_chemical_formula_sum '[Rb4 Ca4 Mn4 Cl20]'
_cell_volume [1031.2188]
_cell_formula_units_Z [4]
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  4  0.0000  0.3391  0.2500  1.0
  Ca  Ca1  4  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  4  0.0000  0.3158  0.7500  1.0
  Cl  Cl3  8  0.1064  0.2072  0.6136  1.0
  Cl  Cl4  8  0.1820  0.4331  0.9253  1.0
  Cl  Cl5  4  0.0000  0.0769  0.2500  1.0
]