data_Na6V2B4PO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92
_cell_length_b   9.92
_cell_length_c   9.92
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na6V2B4PO16
_chemical_formula_sum   'Na12 V4 B8 P2 O32'
_cell_volume   690.84
_cell_formula_units_Z   2
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  0.45  0.51  0.51  1.0
  Na  Na1  1  0.02  0.09  0.02  1.0
  Na  Na2  1  0.51  0.51  0.45  1.0
  Na  Na3  1  0.51  0.51  0.56  1.0
  Na  Na4  1  0.94  0.02  0.02  1.0
  Na  Na5  1  0.02  0.94  0.02  1.0
  Na  Na6  1  0.56  0.51  0.51  1.0
  Na  Na7  1  0.51  0.56  0.51  1.0
  Na  Na8  1  0.02  0.02  0.09  1.0
  Na  Na9  1  0.02  0.02  0.94  1.0
  Na  Na10  1  0.51  0.45  0.51  1.0
  Na  Na11  1  0.09  0.02  0.02  1.0
  V  V12  1  0.26  0.26  0.77  1.0
  V  V13  1  0.77  0.26  0.26  1.0
  V  V14  1  0.77  0.77  0.77  1.0
  V  V15  1  0.26  0.77  0.26  1.0
  B  B16  1  0.32  0.32  0.73  1.0
  B  B17  1  0.73  0.32  0.32  1.0
  B  B18  1  0.32  0.73  0.32  1.0
  B  B19  1  0.73  0.73  0.73  1.0
  B  B20  1  0.81  0.81  0.81  1.0
  B  B21  1  0.22  0.81  0.22  1.0
  B  B22  1  0.81  0.22  0.22  1.0
  B  B23  1  0.22  0.22  0.81  1.0
  P  P24  1  0.51  0.51  0.51  1.0
  P  P25  1  0.0  0.0  0.0  1.0
  O  O26  1  0.87  0.06  0.5  1.0
  O  O27  1  0.16  0.06  0.54  1.0
  O  O28  1  0.48  0.05  0.67  1.0
  O  O29  1  0.05  0.38  0.57  1.0
  O  O30  1  0.61  0.61  0.61  1.0
  O  O31  1  0.05  0.67  0.48  1.0
  O  O32  1  0.48  0.0  0.38  1.0
  O  O33  1  0.41  0.61  0.41  1.0
  O  O34  1  0.61  0.41  0.41  1.0
  O  O35  1  0.57  0.05  0.38  1.0
  O  O36  1  0.0  0.38  0.48  1.0
  O  O37  1  0.41  0.41  0.61  1.0
  O  O38  1  0.0  0.67  0.57  1.0
  O  O39  1  0.38  0.57  0.05  1.0
  O  O40  1  0.67  0.57  0.0  1.0
  O  O41  1  0.97  0.54  0.87  1.0
  O  O42  1  0.57  0.0  0.67  1.0
  O  O43  1  0.87  0.97  0.54  1.0
  O  O44  1  0.16  0.97  0.5  1.0
  O  O45  1  0.54  0.87  0.97  1.0
  O  O46  1  0.12  0.12  0.9  1.0
  O  O47  1  0.54  0.16  0.06  1.0
  O  O48  1  0.97  0.5  0.16  1.0
  O  O49  1  0.9  0.12  0.12  1.0
  O  O50  1  0.12  0.9  0.12  1.0
  O  O51  1  0.06  0.54  0.16  1.0
  O  O52  1  0.5  0.87  0.06  1.0
  O  O53  1  0.9  0.9  0.9  1.0
  O  O54  1  0.5  0.16  0.97  1.0
  O  O55  1  0.06  0.5  0.87  1.0
  O  O56  1  0.38  0.48  0.0  1.0
  O  O57  1  0.67  0.48  0.05  1.0

data_Na6V2B4PO16
_symmetry_space_group_name_H-M   R3
_cell_length_a   9.92
_cell_length_b   9.92
_cell_length_c   24.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Na6V2B4PO16
_chemical_formula_sum   'Na36 V12 B24 P6 O96'
_cell_volume   2072.53
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  9  0.02  0.04  0.47  1.0
  Na  Na1  9  0.02  0.05  0.96  1.0
  Na  Na2  9  0.04  0.02  0.51  1.0
  Na  Na3  9  0.05  0.02  0.01  1.0
  V  V4  9  0.17  0.34  0.57  1.0
  V  V5  3  0.0  0.0  0.23  1.0
  B  B6  9  0.06  0.53  0.21  1.0
  B  B7  9  0.2  0.39  0.58  1.0
  B  B8  3  0.0  0.0  0.19  1.0
  B  B9  3  0.0  0.0  0.27  1.0
  P  P10  3  0.0  0.0  0.0  1.0
  P  P11  3  0.0  0.0  0.49  1.0
  O  O12  9  0.02  0.61  0.94  1.0
  O  O13  9  0.05  0.62  0.46  1.0
  O  O14  9  0.05  0.57  0.41  1.0
  O  O15  9  0.07  0.14  0.53  1.0
  O  O16  9  0.08  0.59  0.92  1.0
  O  O17  9  0.08  0.35  0.86  1.0
  O  O18  9  0.09  0.38  0.33  1.0
  O  O19  9  0.14  0.38  0.38  1.0
  O  O20  9  0.15  0.07  0.96  1.0
  O  O21  9  0.16  0.41  0.87  1.0
  O  O22  3  0.0  0.0  0.1  1.0
  O  O23  3  0.0  0.0  0.39  1.0

Na Na Na Na Na Na Na Na Na Na Na Na V V V V B B B B B B B B P P O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O