data_[Ho1Zr3Sc7]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [6.4650]
_cell_length_b [6.4650]
_cell_length_c [7.7909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [HoZr3Sc7]
_chemical_formula_sum '[Ho1 Zr3 Sc7]'
_cell_volume [282.0087]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5544  1
  Zr  Zr1  3  0.1683  0.3366  0.2133  1
  Sc  Sc2  3  0.0021  0.5011  0.5396  1
  Sc  Sc3  3  0.3337  0.1669  0.8964  1
  Sc  Sc4  1  0.3333  0.6667  0.8827  1
]