data_ZrTlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.31
_cell_length_c   3.18
_cell_angle_alpha   75.8
_cell_angle_beta   75.04
_cell_angle_gamma   29.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTlCu
_chemical_formula_sum   'Zr1 Tl1 Cu1'
_cell_volume   59.76
_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  0.22  0.28  0.64  1.0
  Tl  Tl1  1  0.22  0.28  0.12  1.0
  Cu  Cu0  1  0.22  0.28  0.05  1.0

data_ZrTlCu
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.18
_cell_length_b   11.81
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   ZrTlCu
_chemical_formula_sum   'Zr2 Tl2 Cu2'
_cell_volume   119.56
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.0  0.14  1.0
  Tl  Tl1  2  0.0  0.0  0.67  1.0
  Cu  Cu2  2  0.0  0.0  0.73  1.0

Zr Tl Cu