data_SrTl2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   4.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2Cl
_chemical_formula_sum   'Sr1 Tl2 Cl1'
_cell_volume   138.22
_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  Sr1  1  0.03  0.0  0.0  1.0
  Tl  Tl2  1  0.51  0.16  0.01  1.0
  Tl  Tl3  1  0.51  0.84  0.01  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_SrTl2Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   6.06
_cell_length_b   4.02
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   118.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrTl2Cl
_chemical_formula_sum   'Sr1 Tl2 Cl1'
_cell_volume   138.22
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.97  1.0
  Tl  Tl1  1  0.16  0.0  0.65  1.0
  Tl  Tl2  1  0.84  0.0  0.32  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sr Tl Tl Cl