# generated using pymatgen
data_ThSiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16958489
_cell_length_b   4.16952850
_cell_length_c   7.93518995
_cell_angle_alpha   105.21559137
_cell_angle_beta   105.21649622
_cell_angle_gamma   89.98689947
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThSiPt
_chemical_formula_sum   'Th2 Si2 Pt2'
_cell_volume   128.10220756
_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
  Th  Th0  1  0.58047922  0.58039421  0.16092876  1.0
  Th  Th1  1  0.83041548  0.33050347  0.66097411  1.0
  Si  Si2  1  0.00010128  0.00015529  0.00017937  1.0
  Si  Si3  1  0.25013011  0.75007955  0.50013206  1.0
  Pt  Pt4  1  0.16646693  0.16635846  0.33284470  1.0
  Pt  Pt5  1  0.41640498  0.91650702  0.83294099  1.0