data_Zr2TlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.31
_cell_angle_alpha   103.08
_cell_angle_beta   103.08
_cell_angle_gamma   34.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TlCu
_chemical_formula_sum   'Zr2 Tl1 Cu1'
_cell_volume   84.0
_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  Zr2  1  0.69  0.0  0.94  1.0
  Zr  Zr3  1  0.28  0.0  0.22  1.0
  Tl  Tl1  1  0.48  0.0  0.58  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_Zr2TlCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.31
_cell_length_c   5.36
_cell_angle_alpha   103.08
_cell_angle_beta   107.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TlCu
_chemical_formula_sum   'Zr2 Tl1 Cu1'
_cell_volume   84.0
_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  0.0  0.22  0.28  1.0
  Zr  Zr1  1  0.0  0.94  0.69  1.0
  Tl  Tl2  1  0.0  0.58  0.48  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Zr Zr Tl Cu