data_AlTlCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   3.8
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   91.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlCr2
_chemical_formula_sum   'Al1 Tl1 Cr2'
_cell_volume   68.48
_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  0.0  0.0  1.0
  Tl  Tl3  1  0.9  0.0  0.01  1.0
  Cr  Cr1  1  0.43  0.9  0.38  1.0
  Cr  Cr2  1  0.37  0.9  0.64  1.0

data_AlTlCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   3.8
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   91.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlCr2
_chemical_formula_sum   'Al1 Tl1 Cr2'
_cell_volume   68.48
_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  0.0  0.0  1.0
  Tl  Tl1  1  0.9  0.0  0.01  1.0
  Cr  Cr2  1  0.37  0.9  0.64  1.0
  Cr  Cr3  1  0.43  0.9  0.38  1.0

Al Tl Cr Cr