data_GaAgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.45
_cell_angle_alpha   103.47
_cell_angle_beta   103.47
_cell_angle_gamma   34.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAgSb2
_chemical_formula_sum   'Ga1 Ag1 Sb2'
_cell_volume   93.25
_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  0.55  0.0  0.0  1.0
  Ag  Ag0  1  0.78  0.0  0.59  1.0
  Sb  Sb2  1  0.29  0.0  0.07  1.0
  Sb  Sb3  1  0.74  0.0  0.55  1.0

data_GaAgSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.45
_cell_length_c   5.59
_cell_angle_alpha   103.47
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAgSb2
_chemical_formula_sum   'Ga1 Ag1 Sb2'
_cell_volume   93.25
_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  0.0  0.55  1.0
  Ag  Ag1  1  0.0  0.59  0.78  1.0
  Sb  Sb2  1  0.0  0.07  0.29  1.0
  Sb  Sb3  1  0.0  0.55  0.74  1.0

Ga Ag Sb Sb
Ga Ag Sb Sb 0 2 o o o 1 3 o o o 