data_[Ho2Fe1As3]
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 [3.9677]
_cell_length_b [19.8599]
_cell_length_c [4.3252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3195]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ho2FeAs3]
_chemical_formula_sum '[Ho2 Fe1 As3]'
_cell_volume [340.5447]
_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  2  0.2107  0.4007  0.8520  1
  Fe  Fe1  1  0.6508  0.5000  0.5517  1
  As  As2  2  0.6882  0.3776  0.3705  1
  As  As3  1  0.7438  0.5000  0.0550  1
]