data_[Ho1Fe3As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Fe  1.8300  1.4000  0.8525
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.8543]
_cell_length_b [4.8053]
_cell_length_c [18.6647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [HoFe3As4]
_chemical_formula_sum '[Ho1 Fe3 As4]'
_cell_volume [525.0670]
_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  0.9053  0.5000  0.5286  1
  Fe  Fe1  2  0.3734  0.2529  0.4987  1
  Fe  Fe2  1  0.6890  0.0000  0.4406  1
  As  As3  1  0.0819  0.0000  0.4474  1
  As  As4  1  0.3466  0.5000  0.6058  1
  As  As5  1  0.5880  0.5000  0.4095  1
  As  As6  1  0.6351  0.0000  0.5708  1
]