# generated using pymatgen
data_Th5P3Se2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.03284247
_cell_length_b   11.03284397
_cell_length_c   7.21414683
_cell_angle_alpha   83.74881120
_cell_angle_beta   83.74871668
_cell_angle_gamma   141.76368381
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5P3Se2
_chemical_formula_sum   'Th10 P6 Se4'
_cell_volume   512.56579744
_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  0.61297544  0.90665355  0.98979740  1.0
  Th  Th1  1  0.18035880  0.28836358  0.00076481  1.0
  Th  Th2  1  0.09334926  0.38702440  0.51020108  1.0
  Th  Th3  1  0.81964120  0.71163642  0.99923519  1.0
  Th  Th4  1  0.71163696  0.81964064  0.49923726  1.0
  Th  Th5  1  0.38702456  0.09334645  0.01020260  1.0
  Th  Th6  1  0.28836304  0.18035936  0.50076274  1.0
  Th  Th7  1  0.00000000  0.50000000  0.00000000  1.0
  Th  Th8  1  0.90665074  0.61297560  0.48979892  1.0
  Th  Th9  1  0.50000000  0.00000000  0.50000000  1.0
  P  P10  1  0.35007659  0.64992360  0.74999882  1.0
  P  P11  1  0.95240847  0.04759203  0.75000044  1.0
  P  P12  1  0.84774731  0.15224869  0.25000198  1.0
  P  P13  1  0.15225269  0.84775131  0.74999802  1.0
  P  P14  1  0.04759153  0.95240797  0.24999956  1.0
  P  P15  1  0.64992341  0.35007640  0.25000118  1.0
  Se  Se16  1  0.74724049  0.25277133  0.74999150  1.0
  Se  Se17  1  0.54828457  0.45168648  0.75000172  1.0
  Se  Se18  1  0.45171543  0.54831352  0.24999828  1.0
  Se  Se19  1  0.25275951  0.74722867  0.25000850  1.0