data_[Ho1Tl2Ge1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2407]
_cell_length_b [4.0616]
_cell_length_c [7.9278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HoTl2GeSe4]
_chemical_formula_sum '[Ho1 Tl2 Ge1 Se4]'
_cell_volume [222.2758]
_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  1  0.5000  0.0000  0.5000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  1  0.5000  0.5000  0.0000  1.0
  Ge  Ge3  1  0.0000  0.5000  0.5000  1.0
  Se  Se4  2  0.2300  0.0000  0.7018  1.0
  Se  Se5  2  0.2579  0.5000  0.2971  1.0
]