# generated using pymatgen
data_Tb7PS7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86138721
_cell_length_b   7.86138739
_cell_length_c   7.86138721
_cell_angle_alpha   120.00000341
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000341
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb7PS7
_chemical_formula_sum   'Tb7 P1 S7'
_cell_volume   343.54412858
_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
  Tb  Tb0  1  0.24617982  1.00000000  0.24617982  1.0
  Tb  Tb1  1  0.24617982  0.49235864  0.24617982  1.0
  Tb  Tb2  1  0.75382018  0.00000000  0.24618082  1.0
  Tb  Tb3  1  0.25000100  0.50000100  0.75000200  1.0
  Tb  Tb4  1  0.24618082  0.00000000  0.75382018  1.0
  Tb  Tb5  1  0.75382018  0.00000000  0.75382018  1.0
  Tb  Tb6  1  0.75382018  0.50764036  0.75382018  1.0
  P  P7  1  0.00000000  0.00000000  0.00000000  1.0
  S  S8  1  0.50000000  0.00000000  0.50000000  1.0
  S  S9  1  0.00175876  0.00351753  0.50176076  1.0
  S  S10  1  0.00175876  0.50000100  0.50176076  1.0
  S  S11  1  0.49824224  0.50000100  0.50176076  1.0
  S  S12  1  0.00176076  0.50000100  0.99824124  1.0
  S  S13  1  0.49824024  0.50000100  0.99824124  1.0
  S  S14  1  0.49824024  0.99648147  0.99824124  1.0