data_[Ho1Hf2Sc1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7343]
_cell_length_b [3.8990]
_cell_length_c [6.8152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HoHf2ScAs4]
_chemical_formula_sum '[Ho1 Hf2 Sc1 As4]'
_cell_volume [168.9343]
_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  0.5000  0.5000  0.0000  1.0
  Hf  Hf1  1  0.0000  0.5000  0.5000  1.0
  Hf  Hf2  1  0.5000  0.0000  0.5000  1.0
  Sc  Sc3  1  0.0000  0.0000  0.0000  1.0
  As  As4  2  0.2409  0.0000  0.7393  1.0
  As  As5  2  0.2465  0.5000  0.2565  1.0
]