data_NpMn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   4.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NpMn3
_chemical_formula_sum   'Np2 Mn6'
_cell_volume   98.99
_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
  Np  Np6  1  0.62  0.51  0.12  1.0
  Np  Np7  1  0.0  0.03  0.04  1.0
  Mn  Mn0  1  0.95  0.75  0.04  1.0
  Mn  Mn1  1  0.3  0.75  0.04  1.0
  Mn  Mn2  1  0.62  0.04  0.04  1.0
  Mn  Mn3  1  0.68  0.79  0.12  1.0
  Mn  Mn4  1  0.32  0.79  0.12  1.0
  Mn  Mn5  1  0.0  0.5  0.12  1.0

data_NpMn3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.16
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NpMn3
_chemical_formula_sum   'Np2 Mn6'
_cell_volume   98.99
_cell_formula_units_Z   2
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
  Np  Np0  2  0.04  0.31  0.24  1.0
  Mn  Mn1  2  0.04  0.01  0.52  1.0
  Mn  Mn2  2  0.04  0.37  0.52  1.0
  Mn  Mn3  2  0.04  0.69  0.23  1.0

Np Np Mn Mn Mn Mn Mn Mn
Np Np Mn Mn Mn Mn Mn Mn 0 5 o o o 0 2 o o o 1 5 - - o 1 2 - - o 2 5 o o o 2 7 + o o 3 6 o o o 3 4 o + o 3 7 o o o 4 6 o - o 4 5 o - o 6 7 o o o 