data_NaCrH8(NF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCrH8(NF3)2
_chemical_formula_sum   'Na1 Cr1 H8 N2 F6'
_cell_volume   141.91
_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  Na17  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.14  0.14  0.14  1.0
  H  H7  1  0.8  0.8  0.62  1.0
  H  H8  1  0.8  0.62  0.8  1.0
  H  H9  1  0.62  0.8  0.8  1.0
  H  H10  1  0.62  0.62  0.62  1.0
  H  H11  1  0.66  0.66  0.66  1.0
  H  H12  1  0.66  0.48  0.48  1.0
  H  H13  1  0.48  0.66  0.48  1.0
  H  H14  1  0.48  0.48  0.66  1.0
  N  N15  1  0.21  0.21  0.21  1.0
  N  N16  1  0.07  0.07  0.07  1.0
  F  F1  1  0.14  0.23  0.14  1.0
  F  F2  1  0.14  0.14  0.23  1.0
  F  F3  1  0.23  0.14  0.14  1.0
  F  F4  1  0.14  0.14  0.05  1.0
  F  F5  1  0.14  0.05  0.14  1.0
  F  F6  1  0.05  0.14  0.14  1.0

data_NaCrH8(NF3)2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   14.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaCrH8(NF3)2
_chemical_formula_sum   'Na3 Cr3 H24 N6 F18'
_cell_volume   425.74
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Cr  Cr1  3  0.0  0.0  0.86  1.0
  H  H2  9  0.06  0.12  0.46  1.0
  H  H3  9  0.12  0.06  0.26  1.0
  H  H4  3  0.0  0.0  0.34  1.0
  H  H5  3  0.0  0.0  0.38  1.0
  N  N6  3  0.0  0.0  0.79  1.0
  N  N7  3  0.0  0.0  0.93  1.0
  F  F8  9  0.03  0.06  0.83  1.0
  F  F9  9  0.06  0.03  0.89  1.0

Na Cr H H H H H H H H N N F F F F F F