data_[Cs1Mn1Au1I6]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.2703]
_cell_length_b [7.3315]
_cell_length_c [8.7523]
_cell_angle_alpha [94.2601]
_cell_angle_beta [95.6066]
_cell_angle_gamma [109.4537]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsMnAuI6]
_chemical_formula_sum '[Cs1 Mn1 Au1 I6]'
_cell_volume [434.9369]
_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  0.0393  0.9654  0.0003  1.0
  Mn  Mn1  1  0.6851  0.3123  0.4988  1.0
  Au  Au2  1  0.3262  0.6717  0.5018  1.0
  I  I3  1  0.3724  0.3848  0.3136  1.0
  I  I4  1  0.3737  0.0149  0.6642  1.0
  I  I5  1  0.6189  0.6188  0.6885  1.0
  I  I6  1  0.6340  0.0383  0.2568  1.0
  I  I7  1  0.9709  0.3604  0.7380  1.0
  I  I8  1  0.9793  0.6335  0.3379  1.0
]