data_[Ho2Er2B6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8743]
_cell_length_b [3.2456]
_cell_length_c [7.4092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4523]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HoErB3]
_chemical_formula_sum '[Ho2 Er2 B6]'
_cell_volume [141.2582]
_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  2  0.2472  0.2500  0.7461  1
  Er  Er1  2  0.2524  0.2500  0.2504  1
  B  B2  2  0.0799  0.7500  0.9999  1
  B  B3  2  0.4200  0.7500  0.9997  1
  B  B4  2  0.4496  0.7500  0.4990  1
]