data_[Ho12In2P4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  In  1.7800  1.5500  0.9400
  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 [17.8885]
_cell_length_b [4.0291]
_cell_length_c [8.3220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6InP2Se3]
_chemical_formula_sum '[Ho12 In2 P4 Se6]'
_cell_volume [583.5015]
_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  0.0057  0.0000  0.2629  1.0
  Ho  Ho1  4  0.1705  0.5000  0.1026  1.0
  Ho  Ho2  4  0.1728  0.5000  0.5718  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1684  0.0000  0.3374  1.0
  Se  Se5  4  0.1662  0.0000  0.8309  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]