data_[Ho2Ni8B2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.9138]
_cell_length_b [3.3984]
_cell_length_c [6.2838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [HoNi4B]
_chemical_formula_sum '[Ho2 Ni8 B2]'
_cell_volume [147.6406]
_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  0.2500  0.0000  0.3950  1
  Ni  Ni1  4  0.0700  0.5000  0.7146  1
  Ni  Ni2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  2  0.2500  0.5000  0.0438  1
  B  B4  2  0.2500  0.0000  0.8263  1
]