data_Sr3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58
_cell_length_b   7.58
_cell_length_c   7.58
_cell_angle_alpha   147.31
_cell_angle_beta   60.37
_cell_angle_gamma   130.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Tl
_chemical_formula_sum   'Sr3 Tl1'
_cell_volume   176.88
_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  0.13  0.89  0.5  1.0
  Sr  Sr1  1  0.0  0.66  0.66  1.0
  Sr  Sr2  1  0.0  0.0  0.8  1.0
  Tl  Tl3  1  0.13  0.0  0.57  1.0

data_Sr3Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   6.32
_cell_length_c   7.58
_cell_angle_alpha   114.62
_cell_angle_beta   106.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Tl
_chemical_formula_sum   'Sr3 Tl1'
_cell_volume   176.88
_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  0.5  0.61  0.74  1.0
  Sr  Sr1  1  0.66  0.0  0.0  1.0
  Sr  Sr2  1  0.8  0.8  0.8  1.0
  Tl  Tl3  1  0.57  0.57  0.7  1.0

Sr Sr Sr Tl