data_[Ho4Sc4B2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  B  2.0400  0.8500  0.4100
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7718]
_cell_length_b [3.7956]
_cell_length_c [8.1187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Sc2BBr5]
_chemical_formula_sum '[Ho4 Sc4 B2 Br10]'
_cell_volume [534.2928]
_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
[
  Ho  Ho0  4  0.0006  0.0000  0.7916  1
  Sc  Sc1  4  0.1341  0.5000  0.0687  1
  B  B2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1652  0.0000  0.3198  1
  Br  Br4  4  0.1692  0.0000  0.8464  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]