data_TlCr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   2.79
_cell_angle_alpha   90.81
_cell_angle_beta   90.81
_cell_angle_gamma   116.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Pd
_chemical_formula_sum   'Tl1 Cr2 Pd1'
_cell_volume   62.28
_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  Tl3  1  0.63  0.0  0.0  1.0
  Cr  Cr0  1  0.28  0.88  0.4  1.0
  Cr  Cr1  1  0.28  0.12  0.4  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_TlCr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   116.25
_cell_angle_beta   90.81
_cell_angle_gamma   90.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Pd
_chemical_formula_sum   'Tl1 Cr2 Pd1'
_cell_volume   62.28
_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  0.63  0.0  1.0
  Cr  Cr1  1  0.4  0.28  0.12  1.0
  Cr  Cr2  1  0.4  0.28  0.88  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Tl Cr Cr Pd