data_SrCuSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   6.26
_cell_angle_alpha   105.38
_cell_angle_beta   105.38
_cell_angle_gamma   49.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuSb2
_chemical_formula_sum   'Sr1 Cu1 Sb2'
_cell_volume   107.04
_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
  Sr  Sr3  1  0.51  0.0  0.99  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.93  0.0  0.99  1.0
  Sb  Sb2  1  0.1  0.0  1.0  1.0

data_SrCuSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.87
_cell_length_c   6.26
_cell_angle_alpha   105.38
_cell_angle_beta   90.0
_cell_angle_gamma   114.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuSb2
_chemical_formula_sum   'Sr1 Cu1 Sb2'
_cell_volume   107.04
_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
  Sr  Sr0  1  0.0  0.49  0.01  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.07  0.01  1.0
  Sb  Sb3  1  0.0  0.9  0.0  1.0

Sr Cu Sb Sb
Sr Cu Sb Sb 0 3 o o o 0 1 + o + 0 2 o o o 1 2 - o - 1 3 o o - 