# generated using pymatgen
data_CaNb6Sn5Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81104233
_cell_length_b   5.81104355
_cell_length_c   9.64900830
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000428
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNb6Sn5Sb
_chemical_formula_sum   'Ca1 Nb6 Sn5 Sb1'
_cell_volume   282.17690284
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.99870649  1.0
  Nb  Nb1  1  0.00000000  0.50000000  0.74944050  1.0
  Nb  Nb2  1  0.50000000  0.50000000  0.74944050  1.0
  Nb  Nb3  1  0.50000000  0.00000000  0.74944050  1.0
  Nb  Nb4  1  0.00000000  0.50000000  0.25164146  1.0
  Nb  Nb5  1  0.50000000  0.50000000  0.25164146  1.0
  Nb  Nb6  1  0.50000000  0.00000000  0.25164146  1.0
  Sn  Sn7  1  0.66666700  0.33333300  0.49964472  1.0
  Sn  Sn8  1  0.33333300  0.66666700  0.49964472  1.0
  Sn  Sn9  1  0.66666700  0.33333300  0.00074593  1.0
  Sn  Sn10  1  0.33333300  0.66666700  0.00074593  1.0
  Sn  Sn11  1  0.00000000  0.00000000  0.31873556  1.0
  Sb  Sb12  1  0.00000000  0.00000000  0.67853075  1.0