# generated using pymatgen
data_Na4CaSn6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.14501550
_cell_length_b   10.14501550
_cell_length_c   7.23202400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999674
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na4CaSn6
_chemical_formula_sum   'Na8 Ca2 Sn12'
_cell_volume   644.60836123
_cell_formula_units_Z   2
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  0.54064600  0.45935400  0.75000000  1.0
  Na  Na1  1  0.54064600  0.08129200  0.75000000  1.0
  Na  Na2  1  0.45935400  0.54064600  0.25000000  1.0
  Na  Na3  1  0.08129200  0.54064600  0.25000000  1.0
  Na  Na4  1  0.66666700  0.33333300  0.25000000  1.0
  Na  Na5  1  0.91870800  0.45935400  0.75000000  1.0
  Na  Na6  1  0.33333300  0.66666700  0.75000000  1.0
  Na  Na7  1  0.45935400  0.91870800  0.25000000  1.0
  Ca  Ca8  1  0.00000000  0.00000000  0.75000000  1.0
  Ca  Ca9  1  0.00000000  0.00000000  0.25000000  1.0
  Sn  Sn10  1  0.83117800  0.16882200  0.46120900  1.0
  Sn  Sn11  1  0.83117800  0.16882200  0.03879100  1.0
  Sn  Sn12  1  0.83117800  0.66235600  0.46120900  1.0
  Sn  Sn13  1  0.66235600  0.83117800  0.96120900  1.0
  Sn  Sn14  1  0.16882200  0.83117800  0.53879100  1.0
  Sn  Sn15  1  0.16882200  0.33764400  0.53879100  1.0
  Sn  Sn16  1  0.16882200  0.33764400  0.96120900  1.0
  Sn  Sn17  1  0.83117800  0.66235600  0.03879100  1.0
  Sn  Sn18  1  0.16882200  0.83117800  0.96120900  1.0
  Sn  Sn19  1  0.33764400  0.16882200  0.03879100  1.0
  Sn  Sn20  1  0.66235600  0.83117800  0.53879100  1.0
  Sn  Sn21  1  0.33764400  0.16882200  0.46120900  1.0