data_[Ho12Ta4B28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ta  1.5000  1.4500  0.8200
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4969]
_cell_length_b [15.9965]
_cell_length_c [9.5438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ho3TaB7]
_chemical_formula_sum '[Ho12 Ta4 B28]'
_cell_volume [533.8563]
_cell_formula_units_Z [4]
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  8  0.0000  0.1078  0.0592  1
  Ho  Ho1  4  0.0000  0.2451  0.7500  1
  Ta  Ta2  4  0.0000  0.0532  0.7500  1
  B  B3  8  0.0000  0.2733  0.0324  1
  B  B4  8  0.0000  0.3647  0.1452  1
  B  B5  8  0.0000  0.4807  0.0911  1
  B  B6  4  0.0000  0.4540  0.7500  1
]