data_[Ho4Zr8]
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
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.2632]
_cell_length_b [10.0064]
_cell_length_c [5.7980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [HoZr2]
_chemical_formula_sum '[Ho4 Zr8]'
_cell_volume [305.3569]
_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  4  0.0000  0.3352  0.9115  1
  Zr  Zr1  4  0.0000  0.1598  0.4301  1
  Zr  Zr2  2  0.0000  0.0000  0.9003  1
  Zr  Zr3  2  0.0000  0.5000  0.4114  1
]