data_[Ho3Tm6Zr3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.4149]
_cell_length_b [3.4149]
_cell_length_c [33.7387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [HoTm2Zr]
_chemical_formula_sum '[Ho3 Tm6 Zr3]'
_cell_volume [340.7322]
_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  0.0000  1.0
  Tm  Tm1  6  0.0000  0.0000  0.2452  1.0
  Zr  Zr2  3  -0.0000  -0.0000  0.5000  1.0
]