data_[K1Ho1As1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ho  1.2300  1.7500  1.0410
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.3321]
_cell_length_b [4.3321]
_cell_length_c [7.4944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [KHoAs]
_chemical_formula_sum '[K1 Ho1 As1]'
_cell_volume [121.8067]
_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
[
  K  K0  1  0.0000  0.0000  0.0768  1
  Ho  Ho1  1  0.3333  0.6667  0.5382  1
  As  As2  1  0.6667  0.3333  0.3850  1
]