# generated using pymatgen
data_Ca6Re2BrN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21167270
_cell_length_b   6.21167278
_cell_length_c   6.21167205
_cell_angle_alpha   95.33424718
_cell_angle_beta   95.33423791
_cell_angle_gamma   95.33424787
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6Re2BrN6
_chemical_formula_sum   'Ca6 Re2 Br1 N6'
_cell_volume   236.35385420
_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
  Ca  Ca0  1  0.60338317  0.11467373  0.78117999  1.0
  Ca  Ca1  1  0.11467373  0.78117999  0.60338317  1.0
  Ca  Ca2  1  0.78117999  0.60338317  0.11467373  1.0
  Ca  Ca3  1  0.39661683  0.88532627  0.21882001  1.0
  Ca  Ca4  1  0.88532627  0.21882001  0.39661683  1.0
  Ca  Ca5  1  0.21882001  0.39661683  0.88532627  1.0
  Re  Re6  1  0.62342363  0.62342363  0.62342363  1.0
  Re  Re7  1  0.37657637  0.37657637  0.37657637  1.0
  Br  Br8  1  0.00000000  0.00000000  0.00000000  1.0
  N  N9  1  0.73123774  0.86131075  0.47443522  1.0
  N  N10  1  0.86131075  0.47443522  0.73123774  1.0
  N  N11  1  0.47443522  0.73123774  0.86131075  1.0
  N  N12  1  0.26876226  0.13868925  0.52556478  1.0
  N  N13  1  0.13868925  0.52556478  0.26876226  1.0
  N  N14  1  0.52556478  0.26876226  0.13868925  1.0