data_[Ho12Ge4P6Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ge  2.0100  1.2500  0.7700
  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 [17.7261]
_cell_length_b [3.9731]
_cell_length_c [8.2188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6Ge2P3Se]
_chemical_formula_sum '[Ho12 Ge4 P6 Se2]'
_cell_volume [561.6832]
_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  0.0009  0.0000  0.7393  1
  Ho  Ho1  4  0.1642  0.5000  0.5920  1
  Ho  Ho2  4  0.1698  0.5000  0.0773  1
  Ge  Ge3  4  0.1667  0.0000  0.3334  1
  P  P4  4  0.1641  0.0000  0.8348  1
  P  P5  2  0.0000  0.5000  0.5000  1
  Se  Se6  2  0.0000  0.5000  0.0000  1
]