data_[Cs1Li2Ho1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.4433]
_cell_length_b [7.8270]
_cell_length_c [7.9707]
_cell_angle_alpha [105.2626]
_cell_angle_beta [102.4069]
_cell_angle_gamma [117.3168]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsLi2HoBr6]
_chemical_formula_sum '[Cs1 Li2 Ho1 Br6]'
_cell_volume [366.2357]
_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  0.8782  0.4453  0.3383  1
  Li  Li1  1  0.1363  0.0418  0.0701  1
  Li  Li2  1  0.4535  0.1661  0.6683  1
  Ho  Ho3  1  0.3242  0.6555  0.9832  1
  Br  Br4  1  0.2482  0.9056  0.8037  1
  Br  Br5  1  0.2830  0.3829  0.6583  1
  Br  Br6  1  0.3396  0.9495  0.3049  1
  Br  Br7  1  0.3650  0.4446  0.2018  1
  Br  Br8  1  0.7694  0.9203  0.0973  1
  Br  Br9  1  0.8642  0.4114  0.8590  1
]