# generated using pymatgen
data_NaTb6NiBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09163803
_cell_length_b   9.09163616
_cell_length_c   9.09163771
_cell_angle_alpha   106.79715480
_cell_angle_beta   106.79714312
_cell_angle_gamma   106.79714003
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTb6NiBr12
_chemical_formula_sum   'Na1 Tb6 Ni1 Br12'
_cell_volume   629.28364763
_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
  Na  Na0  1  0.50000000  0.50000000  0.50000000  1.0
  Tb  Tb1  1  0.89063456  0.97041250  0.68441888  1.0
  Tb  Tb2  1  0.97041250  0.68441888  0.89063456  1.0
  Tb  Tb3  1  0.68441888  0.89063456  0.97041250  1.0
  Tb  Tb4  1  0.10936544  0.02958750  0.31558112  1.0
  Tb  Tb5  1  0.02958750  0.31558112  0.10936544  1.0
  Tb  Tb6  1  0.31558112  0.10936544  0.02958750  1.0
  Ni  Ni7  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br8  1  0.54431956  0.85303164  0.62815111  1.0
  Br  Br9  1  0.85303164  0.62815111  0.54431956  1.0
  Br  Br10  1  0.62815111  0.54431956  0.85303164  1.0
  Br  Br11  1  0.45568044  0.14696836  0.37184889  1.0
  Br  Br12  1  0.14696836  0.37184889  0.45568044  1.0
  Br  Br13  1  0.37184889  0.45568044  0.14696836  1.0
  Br  Br14  1  0.68000632  0.22156081  0.07390540  1.0
  Br  Br15  1  0.22156081  0.07390540  0.68000632  1.0
  Br  Br16  1  0.07390540  0.68000632  0.22156081  1.0
  Br  Br17  1  0.31999368  0.77843919  0.92609460  1.0
  Br  Br18  1  0.77843919  0.92609460  0.31999368  1.0
  Br  Br19  1  0.92609460  0.31999368  0.77843919  1.0