data_GaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSn
_chemical_formula_sum   'Ga4 Sn4'
_cell_volume   197.87
_cell_formula_units_Z   4
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  0.54  0.47  0.74  1.0
  Ga  Ga1  1  0.0  0.93  0.17  1.0
  Ga  Ga2  1  0.0  0.93  0.12  1.0
  Ga  Ga3  1  0.54  0.47  0.69  1.0
  Sn  Sn4  1  0.0  0.0  0.21  1.0
  Sn  Sn5  1  0.0  0.0  0.64  1.0
  Sn  Sn6  1  0.54  0.47  0.64  1.0
  Sn  Sn7  1  0.0  0.93  0.21  1.0

data_GaSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSn
_chemical_formula_sum   'Ga4 Sn4'
_cell_volume   197.87
_cell_formula_units_Z   4
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  0.0  0.93  0.12  1.0
  Ga  Ga1  1  0.0  0.93  0.17  1.0
  Ga  Ga2  1  0.54  0.47  0.69  1.0
  Ga  Ga3  1  0.54  0.47  0.74  1.0
  Sn  Sn4  1  0.0  0.0  0.21  1.0
  Sn  Sn5  1  0.0  0.0  0.64  1.0
  Sn  Sn6  1  0.0  0.93  0.21  1.0
  Sn  Sn7  1  0.54  0.47  0.64  1.0

Ga Ga Ga Ga Sn Sn Sn Sn