data_[Ho12Sn2P4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8825]
_cell_length_b [4.0684]
_cell_length_c [8.2707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6SnP2Se3]
_chemical_formula_sum '[Ho12 Sn2 P4 Se6]'
_cell_volume [585.3609]
_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  0.0064  0.0000  0.2606  1.0
  Ho  Ho1  4  0.1703  0.5000  0.1039  1.0
  Ho  Ho2  4  0.1729  0.5000  0.5724  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1683  0.0000  0.3374  1.0
  Se  Se5  4  0.1652  0.0000  0.8319  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]