data_[Ba2Ho2B2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ho  1.2300  1.7500  1.0410
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4932]
_cell_length_b [6.7387]
_cell_length_c [8.6650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaHoBSe4]
_chemical_formula_sum '[Ba2 Ho2 B2 Se8]'
_cell_volume [360.8371]
_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
[
  Ba  Ba0  2  0.2743  0.2500  0.0702  1.0
  Ho  Ho1  2  0.2333  0.2500  0.5539  1.0
  B  B2  2  0.2121  0.7500  0.3192  1.0
  Se  Se3  4  0.0073  0.5060  0.2775  1.0
  Se  Se4  2  0.3985  0.7500  0.1578  1.0
  Se  Se5  2  0.4008  0.7500  0.5612  1.0
]