data_[K6Ho2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [7.8858]
_cell_length_b [8.4095]
_cell_length_c [13.6859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3HoBr6]
_chemical_formula_sum '[K6 Ho2 Br12]'
_cell_volume [751.5102]
_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
[
  K  K0  4  0.2884  0.5795  0.2567  1.0
  K  K1  2  0.5000  0.0000  0.5000  1.0
  Ho  Ho2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.0951  0.5539  0.7281  1.0
  Br  Br4  4  0.2420  0.2226  0.5763  1.0
  Br  Br5  4  0.3440  0.6789  0.5586  1.0
]