data_CaTaTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   9.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTaTl2
_chemical_formula_sum   'Ca1 Ta1 Tl2'
_cell_volume   101.66
_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
  Ca  Ca0  1  0.0  0.0  0.82  1.0
  Ta  Ta1  1  0.1  0.0  0.4  1.0
  Tl  Tl2  1  0.0  0.0  0.17  1.0
  Tl  Tl3  1  0.1  0.0  0.58  1.0

data_CaTaTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   9.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTaTl2
_chemical_formula_sum   'Ca1 Ta1 Tl2'
_cell_volume   101.66
_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
  Ca  Ca0  1  0.0  0.0  0.82  1.0
  Ta  Ta1  1  0.1  0.0  0.4  1.0
  Tl  Tl2  1  0.0  0.0  0.17  1.0
  Tl  Tl3  1  0.1  0.0  0.58  1.0

Ca Ta Tl Tl
Ca Ta Tl Tl 0 3 o o o 1 3 o o o 1 2 o o o 