data_ZrTl2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   141.55
_cell_angle_beta   128.78
_cell_angle_gamma   65.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2Cr
_chemical_formula_sum   'Zr1 Tl2 Cr1'
_cell_volume   82.08
_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
  Zr  Zr3  1  0.0  0.0  0.67  1.0
  Tl  Tl1  1  0.0  0.4  0.49  1.0
  Tl  Tl2  1  0.83  0.0  0.18  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_ZrTl2Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   4.81
_cell_length_c   5.56
_cell_angle_alpha   115.61
_cell_angle_beta   109.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTl2Cr
_chemical_formula_sum   'Zr1 Tl2 Cr1'
_cell_volume   82.08
_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
  Zr  Zr0  1  0.33  0.33  0.33  1.0
  Tl  Tl1  1  0.51  0.91  0.91  1.0
  Tl  Tl2  1  0.65  0.82  0.65  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Zr Tl Tl Cr