# generated using pymatgen
data_PrThCBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81514216
_cell_length_b   3.81514209
_cell_length_c   15.09609120
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrThCBr
_chemical_formula_sum   'Pr2 Th2 C2 Br2'
_cell_volume   190.29027003
_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
  Pr  Pr0  1  0.66666700  0.33333300  0.90661910  1.0
  Pr  Pr1  1  0.33333300  0.66666700  0.40661910  1.0
  Th  Th2  1  0.33333300  0.66666700  0.08780181  1.0
  Th  Th3  1  0.66666700  0.33333300  0.58780181  1.0
  C  C4  1  0.00000000  0.00000000  0.00600987  1.0
  C  C5  1  0.00000000  0.00000000  0.50600987  1.0
  Br  Br6  1  0.66666700  0.33333300  0.24956922  1.0
  Br  Br7  1  0.33333300  0.66666700  0.74956922  1.0