data_[Cs1Mn2Au1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mn  1.5500  1.4000  0.6483
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.6627]
_cell_length_b [6.6627]
_cell_length_c [9.6459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [CsMn2AuCl8]
_chemical_formula_sum '[Cs1 Mn2 Au1 Cl8]'
_cell_volume [370.8292]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  2  0.3333  0.6667  0.2713  1.0
  Au  Au2  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  6  0.0232  0.7007  0.3379  1.0
  Cl  Cl4  2  0.3333  0.6667  0.0395  1.0
]