data_TlCrCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.31
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   91.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCrCo2
_chemical_formula_sum   'Tl1 Cr1 Co2'
_cell_volume   54.76
_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  0.9  0.0  0.97  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.24  0.65  0.75  1.0
  Co  Co1  1  0.35  0.65  0.18  1.0

data_TlCrCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.31
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   91.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCrCo2
_chemical_formula_sum   'Tl1 Cr1 Co2'
_cell_volume   54.76
_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  0.9  0.0  0.97  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.24  0.65  0.75  1.0
  Co  Co3  1  0.35  0.65  0.18  1.0

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