data_SrCa2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   7.17
_cell_angle_alpha   146.72
_cell_angle_beta   130.01
_cell_angle_gamma   61.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa2Tl
_chemical_formula_sum   'Sr1 Ca2 Tl1'
_cell_volume   153.29
_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  Sr2  1  0.0  0.0  0.0  1.0
  Ca  Ca0  1  0.05  0.0  0.62  1.0
  Ca  Ca1  1  0.0  0.03  0.55  1.0
  Tl  Tl3  1  0.0  0.0  0.16  1.0

data_SrCa2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   6.06
_cell_length_c   7.17
_cell_angle_alpha   114.99
_cell_angle_beta   106.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa2Tl
_chemical_formula_sum   'Sr1 Ca2 Tl1'
_cell_volume   153.29
_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
  Ca  Ca1  1  0.0  0.62  0.56  1.0
  Ca  Ca2  1  0.97  0.52  0.52  1.0
  Tl  Tl3  1  0.0  0.16  0.16  1.0

Sr Ca Ca Tl