data_TlGaCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGaCu2
_chemical_formula_sum   'Tl1 Ga1 Cu2'
_cell_volume   71.61
_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  0.0  0.07  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.08  0.0  0.54  1.0
  Cu  Cu1  1  0.08  0.0  0.59  1.0

data_TlGaCu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TlGaCu2
_chemical_formula_sum   'Tl1 Ga1 Cu2'
_cell_volume   71.63
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.07  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.08  0.0  0.54  1.0
  Cu  Cu3  1  0.08  0.0  0.59  1.0

Tl Ga Cu Cu
Tl Ga Cu Cu 0 1 o o o 2 3 o o o 