# generated using pymatgen
data_Ca6Re2N6Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17411817
_cell_length_b   6.17411846
_cell_length_c   6.17411943
_cell_angle_alpha   95.42767325
_cell_angle_beta   95.42767035
_cell_angle_gamma   95.42766912
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6Re2N6Cl
_chemical_formula_sum   'Ca6 Re2 N6 Cl1'
_cell_volume   231.97369878
_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  0.61345226  0.11602636  0.78368371  1.0
  Ca  Ca1  1  0.11602636  0.78368371  0.61345226  1.0
  Ca  Ca2  1  0.78368371  0.61345226  0.11602636  1.0
  Ca  Ca3  1  0.38654774  0.88397364  0.21631629  1.0
  Ca  Ca4  1  0.88397364  0.21631629  0.38654774  1.0
  Ca  Ca5  1  0.21631629  0.38654774  0.88397364  1.0
  Re  Re6  1  0.62381557  0.62381557  0.62381557  1.0
  Re  Re7  1  0.37618443  0.37618443  0.37618443  1.0
  N  N8  1  0.73253799  0.86216643  0.47344891  1.0
  N  N9  1  0.86216643  0.47344891  0.73253799  1.0
  N  N10  1  0.47344891  0.73253799  0.86216643  1.0
  N  N11  1  0.26746201  0.13783357  0.52655109  1.0
  N  N12  1  0.13783357  0.52655109  0.26746201  1.0
  N  N13  1  0.52655109  0.26746201  0.13783357  1.0
  Cl  Cl14  1  0.00000000  0.00000000  0.00000000  1.0