data_[Ho4Bi2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.3822]
_cell_length_b [7.7021]
_cell_length_c [19.7340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [97.9487]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ho2BiAs3]
_chemical_formula_sum '[Ho4 Bi2 As6]'
_cell_volume [1111.2679]
_cell_formula_units_Z [2]
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  0.1360  0.7954  0.5406  1
  Ho  Ho1  1  0.1403  0.2726  0.5590  1
  Ho  Ho2  1  0.6292  0.2828  0.5269  1
  Ho  Ho3  1  0.6488  0.7800  0.5973  1
  Bi  Bi4  1  0.4000  0.5784  0.4876  1
  Bi  Bi5  1  0.8222  0.9906  0.4751  1
  As  As6  1  0.0932  0.8746  0.4010  1
  As  As7  1  0.2602  0.1659  0.4278  1
  As  As8  1  0.3982  0.0378  0.6103  1
  As  As9  1  0.5456  0.2054  0.3704  1
  As  As10  1  0.6669  0.4972  0.4036  1
  As  As11  1  0.8961  0.5187  0.6006  1
]