data_[Rb6Ho2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ho  1.2300  1.7500  1.0410
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1581]
_cell_length_b [8.6571]
_cell_length_c [14.1105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb3HoBr6]
_chemical_formula_sum '[Rb6 Ho2 Br12]'
_cell_volume [822.9593]
_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
[
  Rb  Rb0  4  0.2845  0.5746  0.2558  1.0
  Rb  Rb1  2  0.5000  0.0000  0.5000  1.0
  Ho  Ho2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.0995  0.5494  0.7233  1.0
  Br  Br4  4  0.2354  0.2305  0.5720  1.0
  Br  Br5  4  0.3306  0.6761  0.5538  1.0
]