data_TlCu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   143.31
_cell_angle_beta   143.31
_cell_angle_gamma   52.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCu2Cl
_chemical_formula_sum   'Tl1 Cu2 Cl1'
_cell_volume   76.04
_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  0.0  0.88  0.68  1.0
  Cu  Cu1  1  0.88  0.0  0.68  1.0
  Cu  Cu2  1  0.0  0.0  0.36  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TlCu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   5.98
_cell_angle_alpha   108.35
_cell_angle_beta   108.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCu2Cl
_chemical_formula_sum   'Tl1 Cu2 Cl1'
_cell_volume   76.04
_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  0.8  0.68  0.8  1.0
  Cu  Cu1  1  0.36  0.36  0.36  1.0
  Cu  Cu2  1  0.68  0.8  0.8  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Tl Cu Cu Cl