data_TlIn2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   131.89
_cell_angle_beta   131.89
_cell_angle_gamma   70.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIn2Co
_chemical_formula_sum   'Tl1 In2 Co1'
_cell_volume   84.5
_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
  Tl  Tl3  1  0.0  0.19  0.2  1.0
  In  In1  1  0.19  0.0  0.2  1.0
  In  In2  1  0.0  0.0  0.39  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_TlIn2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.38
_cell_angle_alpha   114.06
_cell_angle_beta   114.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIn2Co
_chemical_formula_sum   'Tl1 In2 Co1'
_cell_volume   84.5
_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
  Tl  Tl0  1  0.01  0.2  0.01  1.0
  In  In1  1  0.2  0.01  0.01  1.0
  In  In2  1  0.39  0.39  0.39  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Tl In In Co