data_Sr5Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54
_cell_length_b   7.54
_cell_length_c   9.99
_cell_angle_alpha   110.66
_cell_angle_beta   110.66
_cell_angle_gamma   32.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Tl
_chemical_formula_sum   'Sr5 Tl1'
_cell_volume   286.14
_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
  Sr  Sr0  1  0.82  0.0  0.44  1.0
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Sr  Sr2  1  0.98  0.0  0.85  1.0
  Sr  Sr3  1  0.04  0.0  1.0  1.0
  Sr  Sr4  1  0.76  0.0  0.29  1.0
  Tl  Tl5  1  0.16  0.0  0.64  1.0

data_Sr5Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   7.54
_cell_length_c   9.99
_cell_angle_alpha   110.66
_cell_angle_beta   90.0
_cell_angle_gamma   106.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Tl
_chemical_formula_sum   'Sr5 Tl1'
_cell_volume   286.14
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.0  0.02  0.15  1.0
  Sr  Sr2  1  0.0  0.18  0.56  1.0
  Sr  Sr3  1  0.0  0.24  0.71  1.0
  Sr  Sr4  1  0.0  0.96  0.0  1.0
  Tl  Tl5  1  0.0  0.84  0.36  1.0

Sr Sr Sr Sr Sr Tl