data_Sr2TlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   132.77
_cell_angle_beta   132.77
_cell_angle_gamma   69.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TlCo
_chemical_formula_sum   'Sr2 Tl1 Co1'
_cell_volume   114.52
_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  0.41  0.0  0.47  1.0
  Sr  Sr2  1  0.0  0.0  0.95  1.0
  Tl  Tl3  1  0.0  0.41  0.47  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_Sr2TlCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   6.0
_cell_angle_alpha   113.62
_cell_angle_beta   113.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TlCo
_chemical_formula_sum   'Sr2 Tl1 Co1'
_cell_volume   114.52
_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  0.47  0.07  0.07  1.0
  Sr  Sr1  1  0.95  0.95  0.95  1.0
  Tl  Tl2  1  0.07  0.47  0.07  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Sr Sr Tl Co
Sr Sr Tl Co 0 3 o o o 0 3 + o + 0 1 o o - 0 1 + o o 1 3 o o + 1 2 o - o 1 2 o o + 2 3 o + + 2 3 o o o 