data_GaCuSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   6.7
_cell_angle_alpha   105.93
_cell_angle_beta   105.93
_cell_angle_gamma   57.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCuSb2
_chemical_formula_sum   'Ga1 Cu1 Sb2'
_cell_volume   87.97
_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  0.52  0.0  0.18  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.21  0.0  0.98  1.0
  Sb  Sb3  1  0.83  0.0  0.38  1.0

data_GaCuSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   4.06
_cell_length_c   6.7
_cell_angle_alpha   105.93
_cell_angle_beta   90.0
_cell_angle_gamma   118.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCuSb2
_chemical_formula_sum   'Ga1 Cu1 Sb2'
_cell_volume   87.97
_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  0.48  0.82  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.17  0.62  1.0
  Sb  Sb3  1  0.0  0.79  0.02  1.0

Ga Cu Sb Sb
Ga Cu Sb Sb 0 2 o o - 0 3 o o o 1 2 o o - 