data_[Ho3Zr6Ni3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Zr  1.3300  1.5500  0.8600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0078]
_cell_length_b [4.0078]
_cell_length_c [20.5413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [HoZr2Ni]
_chemical_formula_sum '[Ho3 Zr6 Ni3]'
_cell_volume [285.7421]
_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  0.5009  1
  Zr  Zr1  3  0.0000  0.0000  0.7209  1
  Zr  Zr2  3  0.0000  0.0000  0.9462  1
  Ni  Ni3  3  0.0000  0.0000  0.3320  1
]