data_Al2TlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   131.96
_cell_angle_beta   131.96
_cell_angle_gamma   70.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2TlCo
_chemical_formula_sum   'Al2 Tl1 Co1'
_cell_volume   66.55
_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
  Al  Al0  1  0.0  0.02  0.03  1.0
  Al  Al1  1  0.02  0.0  0.03  1.0
  Tl  Tl3  1  0.0  0.0  0.06  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0

data_Al2TlCo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   125.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2TlCo
_chemical_formula_sum   'Al4 Tl2 Co2'
_cell_volume   133.09
_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
  Al  Al0  4  0.48  0.49  0.99  1.0
  Tl  Tl1  2  0.44  0.5  0.94  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0

Al Al Tl Co
Al Al Tl Co 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o o 