data_TaTl2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.13
_cell_length_b   9.13
_cell_length_c   9.13
_cell_angle_alpha   19.76
_cell_angle_beta   19.76
_cell_angle_gamma   19.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl2Co
_chemical_formula_sum   'Ta1 Tl2 Co1'
_cell_volume   76.11
_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  0.0  0.0  0.42  1.0
  Tl  Tl2  1  0.0  0.0  0.91  1.0
  Tl  Tl3  1  0.0  0.0  0.94  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_TaTl2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   3.13
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   101.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaTl2Co
_chemical_formula_sum   'Ta2 Tl4 Co2'
_cell_volume   152.21
_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  0.58  1.0
  Tl  Tl1  2  0.0  0.0  0.06  1.0
  Tl  Tl2  2  0.0  0.0  0.09  1.0
  Co  Co3  2  0.0  0.0  0.0  1.0

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