data_[K2Ho2Be2F12]
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
  Be  1.5700  1.0500  0.5900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4239]
_cell_length_b [5.8419]
_cell_length_c [7.0861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0113]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KHoBeF6]
_chemical_formula_sum '[K2 Ho2 Be2 F12]'
_cell_volume [244.7669]
_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  2  0.4286  0.2500  0.7954  1.0
  Ho  Ho1  2  0.1119  0.2500  0.1802  1.0
  Be  Be2  2  0.2669  0.7500  0.5360  1.0
  F  F3  4  0.1782  0.5015  0.9652  1.0
  F  F4  4  0.2673  0.5345  0.4045  1.0
  F  F5  2  0.0572  0.7500  0.5912  1.0
  F  F6  2  0.4886  0.7500  0.7374  1.0
]