# generated using pymatgen
data_Th6FeBr15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.04719683
_cell_length_b   10.04719683
_cell_length_c   10.04719683
_cell_angle_alpha   109.47123023
_cell_angle_beta   109.47121584
_cell_angle_gamma   109.47121584
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th6FeBr15
_chemical_formula_sum   'Th6 Fe1 Br15'
_cell_volume   780.75152462
_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
  Th  Th0  1  0.23851695  -0.00000000  0.23851695  1.0
  Th  Th1  1  0.23851695  0.23851695  -0.00000000  1.0
  Th  Th2  1  0.76148305  0.00000000  0.76148305  1.0
  Th  Th3  1  -0.00000000  0.23851695  0.23851695  1.0
  Th  Th4  1  0.00000000  0.76148305  0.76148305  1.0
  Th  Th5  1  0.76148305  0.76148305  0.00000000  1.0
  Fe  Fe6  1  -0.00000000  -0.00000000  0.00000000  1.0
  Br  Br7  1  0.00000000  0.74752621  0.25247379  1.0
  Br  Br8  1  0.25247379  0.74752621  0.00000000  1.0
  Br  Br9  1  0.49505242  0.74752621  0.74752621  1.0
  Br  Br10  1  -0.00000000  0.25247379  0.74752621  1.0
  Br  Br11  1  0.74752621  1.00000000  0.25247379  1.0
  Br  Br12  1  0.25247379  0.50494758  0.25247379  1.0
  Br  Br13  1  0.74752621  0.25247379  1.00000000  1.0
  Br  Br14  1  0.50000000  0.50000000  0.00000000  1.0
  Br  Br15  1  0.25247379  0.25247379  0.50494758  1.0
  Br  Br16  1  0.74752621  0.49505242  0.74752621  1.0
  Br  Br17  1  0.74752621  0.74752621  0.49505242  1.0
  Br  Br18  1  0.50494758  0.25247379  0.25247379  1.0
  Br  Br19  1  0.25247379  0.00000000  0.74752621  1.0
  Br  Br20  1  -0.00000000  0.50000000  0.50000000  1.0
  Br  Br21  1  0.50000000  -0.00000000  0.50000000  1.0