data_[Ho4Ge1Pb1Se2]
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
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2707]
_cell_length_b [4.1502]
_cell_length_c [7.3259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ho4GePbSe2]
_chemical_formula_sum '[Ho4 Ge1 Pb1 Se2]'
_cell_volume [208.8683]
_cell_formula_units_Z [1]
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  2  0.2416  0.5000  0.2366  1.0
  Ho  Ho1  2  0.2526  0.0000  0.7644  1.0
  Ge  Ge2  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  1  0.0000  0.5000  0.5000  1.0
  Se  Se4  1  0.5000  0.0000  0.5000  1.0
  Se  Se5  1  0.5000  0.5000  0.0000  1.0
]