data_NbCo3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   6.0
_cell_length_c   9.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo3(PO4)4
_chemical_formula_sum   'Nb1 Co3 P4 O16'
_cell_volume   297.76
_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
  Nb  Nb0  1  0.04  0.0  0.21  1.0
  Co  Co1  1  0.78  0.0  0.65  1.0
  Co  Co2  1  0.57  0.0  0.76  1.0
  Co  Co3  1  0.23  0.0  0.31  1.0
  P  P4  1  0.52  0.0  0.92  1.0
  P  P5  1  0.9  0.0  0.08  1.0
  P  P6  1  0.99  0.0  0.01  1.0
  P  P7  1  0.24  0.0  0.9  1.0
  O  O8  1  0.15  0.0  0.53  1.0
  O  O9  1  0.8  0.77  0.33  1.0
  O  O10  1  0.8  0.23  0.33  1.0
  O  O11  1  0.72  0.0  0.16  1.0
  O  O12  1  0.52  0.0  0.28  1.0
  O  O13  1  0.64  0.83  0.29  1.0
  O  O14  1  0.64  0.17  0.29  1.0
  O  O15  1  0.26  0.0  0.55  1.0
  O  O16  1  0.66  0.0  0.49  1.0
  O  O17  1  0.25  0.8  0.71  1.0
  O  O18  1  0.25  0.2  0.71  1.0
  O  O19  1  0.41  0.0  0.65  1.0
  O  O20  1  0.06  0.0  0.93  1.0
  O  O21  1  0.93  0.77  0.7  1.0
  O  O22  1  0.93  0.23  0.7  1.0
  O  O23  1  0.69  0.0  0.46  1.0

data_NbCo3(PO4)4
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.97
_cell_length_b   6.0
_cell_length_c   9.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NbCo3(PO4)4
_chemical_formula_sum   'Nb1 Co3 P4 O16'
_cell_volume   297.76
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Nb  Nb0  1  0.04  0.0  0.21  1.0
  Co  Co1  1  0.23  0.0  0.31  1.0
  Co  Co2  1  0.57  0.0  0.76  1.0
  Co  Co3  1  0.78  0.0  0.65  1.0
  P  P4  1  0.24  0.0  0.9  1.0
  P  P5  1  0.52  0.0  0.92  1.0
  P  P6  1  0.9  0.0  0.08  1.0
  P  P7  1  0.99  0.0  0.01  1.0
  O  O8  2  0.25  0.2  0.71  1.0
  O  O9  2  0.64  0.17  0.29  1.0
  O  O10  2  0.8  0.23  0.33  1.0
  O  O11  2  0.93  0.23  0.7  1.0
  O  O12  1  0.06  0.0  0.93  1.0
  O  O13  1  0.15  0.0  0.53  1.0
  O  O14  1  0.26  0.0  0.55  1.0
  O  O15  1  0.41  0.0  0.65  1.0
  O  O16  1  0.52  0.0  0.28  1.0
  O  O17  1  0.66  0.0  0.49  1.0
  O  O18  1  0.69  0.0  0.46  1.0
  O  O19  1  0.72  0.0  0.16  1.0

Nb Co Co Co P P P P O O O O O O O O O O O O O O O O
Nb Co Co Co P P P P O O O O O O O O O O O O O O O O 0 11 - o o 0 5 - o o 0 3 o o o 1 16 o o o 1 19 o o o 1 2 o o o 1 21 o - o 1 22 o o o 2 19 o o o 2 4 o o o 3 12 o o o 4 7 o o o 5 6 o o o 5 11 o o o 6 20 + o - 7 20 o o o 8 15 o o o 9 13 o o o 10 14 o o o 12 13 o - o 12 14 o o o 15 19 o o o 16 23 o o o 17 21 - o o 17 19 o + o 18 22 - o o 18 19 o o o 