data_[Cs2Ca2Mn2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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]
_cell_length_a [7.0582]
_cell_length_b [11.3688]
_cell_length_c [7.7253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsCaMnCl6]
_chemical_formula_sum '[Cs2 Ca2 Mn2 Cl12]'
_cell_volume [619.3537]
_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
[
  Cs  Cs0  2  0.0000  0.0056  0.5000  1.0
  Ca  Ca1  2  0.0000  0.6808  0.0000  1.0
  Mn  Mn2  2  0.0000  0.3331  0.0000  1.0
  Cl  Cl3  4  0.1289  0.4783  0.1769  1.0
  Cl  Cl4  4  0.1584  0.1936  0.1695  1.0
  Cl  Cl5  4  0.2119  0.8169  0.2117  1.0
]