data_GaCuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   3.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCuSn
_chemical_formula_sum   'Ga1 Cu1 Sn1'
_cell_volume   59.62
_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
  Ga  Ga1  1  0.0  0.51  0.9  1.0
  Cu  Cu0  1  0.0  0.0  0.07  1.0
  Sn  Sn2  1  0.18  0.26  0.67  1.0

data_GaCuSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.35
_cell_length_c   4.35
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCuSn
_chemical_formula_sum   'Ga1 Cu1 Sn1'
_cell_volume   59.62
_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
  Ga  Ga0  1  0.9  0.0  0.51  1.0
  Cu  Cu1  1  0.07  0.0  0.0  1.0
  Sn  Sn2  1  0.67  0.18  0.26  1.0

Ga Cu Sn
Ga Cu Sn 0 1 o + + 0 2 o o o 1 2 o o - 