data_Tl2CrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   5.56
_cell_angle_alpha   101.56
_cell_angle_beta   101.56
_cell_angle_gamma   39.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CrNi
_chemical_formula_sum   'Tl2 Cr1 Ni1'
_cell_volume   71.98
_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  Tl2  1  0.24  0.0  0.05  1.0
  Tl  Tl3  1  0.22  0.0  0.39  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.73  0.0  0.72  1.0

data_Tl2CrNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.59
_cell_length_c   5.56
_cell_angle_alpha   101.56
_cell_angle_beta   90.0
_cell_angle_gamma   109.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CrNi
_chemical_formula_sum   'Tl2 Cr1 Ni1'
_cell_volume   71.98
_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  0.0  0.76  0.95  1.0
  Tl  Tl1  1  0.0  0.78  0.61  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.27  0.28  1.0

Tl Tl Cr Ni