data_[Ho12Ga4As2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ga  1.8100  1.3000  0.7600
  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 [18.1750]
_cell_length_b [4.0116]
_cell_length_c [8.4006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6Ga2AsSe3]
_chemical_formula_sum '[Ho12 Ga4 As2 Se6]'
_cell_volume [586.2716]
_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  0.0056  0.0000  0.2453  1.0
  Ho  Ho1  4  0.1630  0.5000  0.5952  1.0
  Ho  Ho2  4  0.1652  0.5000  0.0946  1.0
  Ga  Ga3  4  0.1726  0.0000  0.3516  1.0
  As  As4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1630  0.0000  0.8436  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]