data_HoTlSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11
_cell_length_b   8.11
_cell_length_c   8.11
_cell_angle_alpha   29.72
_cell_angle_beta   29.72
_cell_angle_gamma   29.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoTlSe2
_chemical_formula_sum   'Ho1 Tl1 Se2'
_cell_volume   115.99
_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  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.62  1.0
  Se  Se1  1  0.0  0.0  0.06  1.0
  Se  Se2  1  0.0  0.0  0.17  1.0

data_HoTlSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.2
_cell_length_b   4.16
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   107.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HoTlSe2
_chemical_formula_sum   'Ho2 Tl2 Se4'
_cell_volume   231.98
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.0  0.0  0.38  1.0
  Se  Se2  2  0.0  0.0  0.83  1.0
  Se  Se3  2  0.0  0.0  0.94  1.0

Ho Tl Se Se