data_[Ho3Lu3Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Lu  1.2700  1.7500  1.0010
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.4331]
_cell_length_b [4.4331]
_cell_length_c [21.7056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [HoLuBi2]
_chemical_formula_sum '[Ho3 Lu3 Bi6]'
_cell_volume [369.4165]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1
  Lu  Lu1  3  0.0000  0.0000  0.0000  1
  Bi  Bi2  6  0.0000  0.0000  0.2513  1
]