# generated using pymatgen
data_Ca2Th3SiSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49604659
_cell_length_b   9.49604598
_cell_length_c   6.70469743
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999868
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Th3SiSn3
_chemical_formula_sum   'Ca4 Th6 Si2 Sn6'
_cell_volume   523.59497082
_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
  Ca  Ca0  1  0.33333300  0.66666700  0.50000000  1.0
  Ca  Ca1  1  0.66666700  0.33333300  0.50000000  1.0
  Ca  Ca2  1  0.33333300  0.66666700  0.00000000  1.0
  Ca  Ca3  1  0.66666700  0.33333300  0.00000000  1.0
  Th  Th4  1  0.00000000  0.74791827  0.75000000  1.0
  Th  Th5  1  0.25208173  0.25208173  0.75000000  1.0
  Th  Th6  1  0.74791827  0.74791827  0.25000000  1.0
  Th  Th7  1  0.74791827  0.00000000  0.75000000  1.0
  Th  Th8  1  0.00000000  0.25208173  0.25000000  1.0
  Th  Th9  1  0.25208173  1.00000000  0.25000000  1.0
  Si  Si10  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si11  1  0.00000000  0.00000000  0.50000000  1.0
  Sn  Sn12  1  0.60702576  0.60702576  0.75000000  1.0
  Sn  Sn13  1  0.00000000  0.39297424  0.75000000  1.0
  Sn  Sn14  1  0.39297424  1.00000000  0.75000000  1.0
  Sn  Sn15  1  0.60702576  0.00000000  0.25000000  1.0
  Sn  Sn16  1  0.39297424  0.39297424  0.25000000  1.0
  Sn  Sn17  1  0.00000000  0.60702576  0.25000000  1.0