data_HfTlCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   6.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTlCr2
_chemical_formula_sum   'Hf1 Tl1 Cr2'
_cell_volume   71.17
_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
  Hf  Hf2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.31  1.0
  Cr  Cr0  1  0.64  0.64  0.04  1.0
  Cr  Cr1  1  0.64  0.64  0.58  1.0

data_HfTlCr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   6.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTlCr2
_chemical_formula_sum   'Hf2 Tl2 Cr4'
_cell_volume   142.33
_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
  Hf  Hf0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.0  0.0  0.31  1.0
  Cr  Cr2  2  0.14  0.5  0.04  1.0
  Cr  Cr3  2  0.14  0.5  0.58  1.0

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