data_[Ho2Lu6]
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
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.5437]
_cell_length_b [11.0326]
_cell_length_c [6.1334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [HoLu3]
_chemical_formula_sum '[Ho2 Lu6]'
_cell_volume [239.7938]
_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  0.0000  0.0000  0.9991  1.0
  Lu  Lu1  4  0.0000  0.2494  0.3336  1.0
  Lu  Lu2  2  0.0000  0.5000  0.0004  1.0
]