# generated using pymatgen
data_NaCa2(SnP)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91810082
_cell_length_b   6.91810156
_cell_length_c   9.04559987
_cell_angle_alpha   82.68838474
_cell_angle_beta   82.68838709
_cell_angle_gamma   119.99636488
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCa2(SnP)6
_chemical_formula_sum   'Na1 Ca2 Sn6 P6'
_cell_volume   362.58917751
_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
  Na  Na0  1  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.66664355  0.33335645  0.00000000  1.0
  Ca  Ca2  1  0.33335645  0.66664355  0.00000000  1.0
  Sn  Sn3  1  0.54507401  0.87919192  0.36327230  1.0
  Sn  Sn4  1  0.21295966  0.21295966  0.36389400  1.0
  Sn  Sn5  1  0.87919192  0.54507401  0.36327230  1.0
  Sn  Sn6  1  0.45492599  0.12080808  0.63672770  1.0
  Sn  Sn7  1  0.12080808  0.45492599  0.63672770  1.0
  Sn  Sn8  1  0.78704034  0.78704034  0.63610600  1.0
  P  P9  1  0.40645473  0.40645473  0.78739846  1.0
  P  P10  1  0.07076787  0.73509263  0.78762057  1.0
  P  P11  1  0.73509263  0.07076787  0.78762057  1.0
  P  P12  1  0.59354527  0.59354527  0.21260154  1.0
  P  P13  1  0.26490737  0.92923213  0.21237943  1.0
  P  P14  1  0.92923213  0.26490737  0.21237943  1.0