data_TaTlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   5.25
_cell_angle_alpha   101.5
_cell_angle_beta   101.5
_cell_angle_gamma   39.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTlFe2
_chemical_formula_sum   'Ta1 Tl1 Fe2'
_cell_volume   64.01
_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
  Ta  Ta2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.63  0.0  0.57  1.0
  Fe  Fe0  1  0.98  0.0  0.0  1.0
  Fe  Fe1  1  0.29  0.0  0.13  1.0

data_TaTlFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.44
_cell_length_c   5.25
_cell_angle_alpha   101.5
_cell_angle_beta   90.0
_cell_angle_gamma   109.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTlFe2
_chemical_formula_sum   'Ta1 Tl1 Fe2'
_cell_volume   64.01
_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
  Ta  Ta0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.37  0.43  1.0
  Fe  Fe2  1  0.0  0.02  1.0  1.0
  Fe  Fe3  1  0.0  0.71  0.87  1.0

Ta Tl Fe Fe
Ta Tl Fe Fe 0 2 - o o 0 1 - o - 0 3 o o o 1 3 o o o 1 1 + - o 1 2 o o + 2 3 + o o 