data_[Ho12Bi2As6Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1020]
_cell_length_b [4.1468]
_cell_length_c [8.3498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6BiAs3Se2]
_chemical_formula_sum '[Ho12 Bi2 As6 Se4]'
_cell_volume [608.8498]
_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  4  0.0016  0.0000  0.7332  1.0
  Ho  Ho1  4  0.1645  0.5000  0.5907  1.0
  Ho  Ho2  4  0.1734  0.5000  0.0782  1.0
  Bi  Bi3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.1658  0.0000  0.8310  1.0
  As  As5  2  0.0000  0.5000  0.5000  1.0
  Se  Se6  4  0.1688  0.0000  0.3366  1.0
]