data_GaCo2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.22
_cell_angle_alpha   103.3
_cell_angle_beta   103.3
_cell_angle_gamma   36.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCo2Sn
_chemical_formula_sum   'Ga1 Co2 Sn1'
_cell_volume   57.07
_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  Ga2  1  0.08  0.0  0.37  1.0
  Co  Co0  1  1.0  0.0  0.27  1.0
  Co  Co1  1  0.51  0.0  0.76  1.0
  Sn  Sn3  1  0.69  0.0  0.74  1.0

data_GaCo2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.22
_cell_length_c   4.85
_cell_angle_alpha   103.3
_cell_angle_beta   108.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCo2Sn
_chemical_formula_sum   'Ga1 Co2 Sn1'
_cell_volume   57.07
_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  0.0  0.37  0.08  1.0
  Co  Co1  1  0.0  0.27  1.0  1.0
  Co  Co2  1  0.0  0.76  0.51  1.0
  Sn  Sn3  1  0.0  0.74  0.69  1.0

Ga Co Co Sn
Ga Co Co Sn 0 1 - o o 2 3 o o o 