data_U2BiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   6.81
_cell_length_c   6.81
_cell_angle_alpha   146.8
_cell_angle_beta   146.8
_cell_angle_gamma   47.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U2BiN2
_chemical_formula_sum   'U2 Bi1 N2'
_cell_volume   94.15
_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
  U  U3  1  0.0  0.0  0.21  1.0
  U  U4  1  0.0  0.0  0.24  1.0
  Bi  Bi0  1  0.0  0.0  0.0  1.0
  N  N1  1  0.94  0.0  0.11  1.0
  N  N2  1  0.0  0.94  0.11  1.0

data_U2BiN2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   113.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   U2BiN2
_chemical_formula_sum   'U4 Bi2 N4'
_cell_volume   188.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  U  U0  2  0.0  0.0  0.76  1.0
  U  U1  2  0.0  0.0  0.79  1.0
  Bi  Bi2  2  0.0  0.0  0.0  1.0
  N  N3  4  0.47  0.47  0.83  1.0

U U Bi N N
U U Bi N N 0 1 o o o 2 3 - o o 2 4 o - o 3 4 + - o 