data_Sr2CaTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaTl
_chemical_formula_sum   'Sr2 Ca1 Tl1'
_cell_volume   151.28
_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  0.96  0.12  0.28  1.0
  Sr  Sr2  1  0.96  0.88  0.28  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.91  0.0  0.0  1.0

data_Sr2CaTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.57
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   94.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaTl
_chemical_formula_sum   'Sr2 Ca1 Tl1'
_cell_volume   151.28
_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  0.28  0.96  0.12  1.0
  Sr  Sr1  1  0.28  0.96  0.88  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.91  0.0  1.0

Sr Sr Ca Tl