# generated using pymatgen
data_CaSc4(Sn3Os)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72605575
_cell_length_b   9.72605556
_cell_length_c   9.72605608
_cell_angle_alpha   59.99999823
_cell_angle_beta   59.99999889
_cell_angle_gamma   60.00000244
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSc4(Sn3Os)6
_chemical_formula_sum   'Ca1 Sc4 Sn18 Os6'
_cell_volume   650.57185486
_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  0.00000000  1.0
  Sc  Sc1  1  0.37365351  0.37365451  0.87903846  1.0
  Sc  Sc2  1  0.37365451  0.87903746  0.37365351  1.0
  Sc  Sc3  1  0.87903746  0.37365451  0.37365351  1.0
  Sc  Sc4  1  0.37365451  0.37365351  0.37365351  1.0
  Sn  Sn5  1  0.59235664  0.59235664  0.22293107  1.0
  Sn  Sn6  1  0.59235664  0.22293107  0.59235664  1.0
  Sn  Sn7  1  0.22293107  0.59235664  0.59235664  1.0
  Sn  Sn8  1  0.59235664  0.59235664  0.59235664  1.0
  Sn  Sn9  1  0.75000000  0.75000000  0.75000000  1.0
  Sn  Sn10  1  0.99949563  0.35122156  0.64978917  1.0
  Sn  Sn11  1  0.99949563  0.99949563  0.64978917  1.0
  Sn  Sn12  1  0.35122156  0.99949563  0.64978917  1.0
  Sn  Sn13  1  0.99949563  0.64978917  0.35122156  1.0
  Sn  Sn14  1  0.35122156  0.64978917  0.99949563  1.0
  Sn  Sn15  1  0.99949563  0.64978917  0.99949563  1.0
  Sn  Sn16  1  0.64978917  0.99949563  0.99949563  1.0
  Sn  Sn17  1  0.64978917  0.35122156  0.99949563  1.0
  Sn  Sn18  1  0.64978917  0.99949563  0.35122156  1.0
  Sn  Sn19  1  0.35122156  0.99949563  0.99949563  1.0
  Sn  Sn20  1  0.99949563  0.99949563  0.35122156  1.0
  Sn  Sn21  1  0.99949563  0.35122156  0.99949563  1.0
  Sn  Sn22  1  0.25000000  0.25000000  0.25000000  1.0
  Os  Os23  1  0.26048369  0.26048369  0.73951631  1.0
  Os  Os24  1  0.73951631  0.26048369  0.73951631  1.0
  Os  Os25  1  0.26048369  0.73951631  0.73951631  1.0
  Os  Os26  1  0.73951631  0.73951631  0.26048369  1.0
  Os  Os27  1  0.26048369  0.73951631  0.26048369  1.0
  Os  Os28  1  0.73951631  0.26048369  0.26048369  1.0