# generated using pymatgen
data_Ca6Cr2HN6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03316306
_cell_length_b   6.03316306
_cell_length_c   6.03316349
_cell_angle_alpha   96.36645365
_cell_angle_beta   96.36645365
_cell_angle_gamma   96.36645808
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6Cr2HN6
_chemical_formula_sum   'Ca6 Cr2 H1 N6'
_cell_volume   215.20777509
_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  0.62570000  0.10902200  0.78658800  1.0
  Ca  Ca1  1  0.10902200  0.78658800  0.62570000  1.0
  Ca  Ca2  1  0.78658800  0.62570000  0.10902200  1.0
  Ca  Ca3  1  0.37430000  0.89097800  0.21341200  1.0
  Ca  Ca4  1  0.89097800  0.21341200  0.37430000  1.0
  Ca  Ca5  1  0.21341200  0.37430000  0.89097800  1.0
  Cr  Cr6  1  0.62160500  0.62160500  0.62160500  1.0
  Cr  Cr7  1  0.37839500  0.37839500  0.37839500  1.0
  H  H8  1  0.00000000  0.00000000  0.00000000  1.0
  N  N9  1  0.72541200  0.84652800  0.47145800  1.0
  N  N10  1  0.84652800  0.47145800  0.72541200  1.0
  N  N11  1  0.47145800  0.72541200  0.84652800  1.0
  N  N12  1  0.27458800  0.15347200  0.52854200  1.0
  N  N13  1  0.15347200  0.52854200  0.27458800  1.0
  N  N14  1  0.52854200  0.27458800  0.15347200  1.0