data_Ta2MnTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MnTl
_chemical_formula_sum   'Ta2 Mn1 Tl1'
_cell_volume   72.7
_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  Ta1  1  0.67  0.67  0.42  1.0
  Ta  Ta2  1  0.0  0.0  0.46  1.0
  Mn  Mn0  1  0.0  0.0  0.07  1.0
  Tl  Tl3  1  0.67  0.67  0.36  1.0

data_Ta2MnTl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2MnTl
_chemical_formula_sum   'Ta4 Mn2 Tl2'
_cell_volume   145.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.46  1.0
  Ta  Ta1  2  0.17  0.5  0.42  1.0
  Mn  Mn2  2  0.0  0.0  0.07  1.0
  Tl  Tl3  2  0.17  0.5  0.36  1.0

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