data_Sb5Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb5Se
_chemical_formula_sum   'Sb5 Se1'
_cell_volume   157.8
_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
  Sb  Sb0  1  0.85  0.0  0.75  1.0
  Sb  Sb1  1  0.95  0.65  0.75  1.0
  Sb  Sb2  1  0.08  0.33  0.75  1.0
  Sb  Sb3  1  0.88  0.66  0.0  1.0
  Sb  Sb4  1  0.0  0.32  0.0  1.0
  Se  Se5  1  0.0  0.0  0.0  1.0

data_Sb5Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.5
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb5Se
_chemical_formula_sum   'Sb5 Se1'
_cell_volume   157.8
_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
  Sb  Sb0  1  -0.0  0.88  0.66  1.0
  Sb  Sb1  1  -0.0  0.0  0.32  1.0
  Sb  Sb2  1  0.75  0.08  0.33  1.0
  Sb  Sb3  1  0.75  0.85  0.0  1.0
  Sb  Sb4  1  0.75  0.95  0.65  1.0
  Se  Se5  1  0.0  0.0  0.0  1.0

Sb Sb Sb Sb Sb Se