data_SrZrTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68
_cell_length_b   7.68
_cell_length_c   7.68
_cell_angle_alpha   153.8
_cell_angle_beta   153.8
_cell_angle_gamma   37.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrTl
_chemical_formula_sum   'Sr1 Zr1 Tl1'
_cell_volume   88.15
_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  0.45  1.0
  Zr  Zr2  1  0.0  0.0  0.99  1.0
  Tl  Tl1  1  0.0  0.0  0.66  1.0

data_SrZrTl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   108.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrZrTl
_chemical_formula_sum   'Sr2 Zr2 Tl2'
_cell_volume   176.29
_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
  Sr  Sr0  2  0.0  0.0  0.55  1.0
  Zr  Zr1  2  0.0  0.0  0.01  1.0
  Tl  Tl2  2  0.0  0.0  0.34  1.0

Sr Zr Tl