data_CoSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   126.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSb3
_chemical_formula_sum   'Co1 Sb3'
_cell_volume   95.87
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.46  0.27  0.99  1.0
  Sb  Sb2  1  0.46  0.0  0.0  1.0
  Sb  Sb3  1  0.46  0.73  0.99  1.0

data_CoSb3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.92
_cell_length_b   3.98
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   116.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CoSb3
_chemical_formula_sum   'Co1 Sb3'
_cell_volume   95.87
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.54  1.0
  Sb  Sb2  1  0.27  0.0  0.81  1.0
  Sb  Sb3  1  0.73  0.0  0.27  1.0

Co Sb Sb Sb
Co Sb Sb Sb 0 3 - - - 0 1 o o - 0 2 o o o 1 2 o o + 2 3 o - - 