data_USe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   4.0
_cell_length_c   30.14
_cell_angle_alpha   90.0
_cell_angle_beta   92.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   USe3
_chemical_formula_sum   'U2 Se6'
_cell_volume   682.56
_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
  U  U0  1  0.57  0.01  0.24  1.0
  U  U1  1  0.05  0.51  0.14  1.0
  Se  Se2  1  0.07  0.01  0.21  1.0
  Se  Se3  1  0.37  0.51  0.3  1.0
  Se  Se4  1  0.8  0.51  0.3  1.0
  Se  Se5  1  0.83  0.01  0.08  1.0
  Se  Se6  1  0.25  0.01  0.08  1.0
  Se  Se7  1  0.56  0.51  0.17  1.0

U U Se Se Se Se Se Se 0 7 o - o 0 7 o o o 0 3 o - o 0 3 o o o 0 2 o o o 0 2 + o o 0 4 o - o 0 4 o o o 1 5 - o o 1 5 - + o 1 7 - o o 1 7 o o o 1 6 o o o 1 6 o + o 1 2 o o o 1 2 o + o 3 4 o o o 5 6 + o o 
data_USe3
_symmetry_space_group_name_H-M   P2_1/m
_cell_length_a   5.66
_cell_length_b   4.0
_cell_length_c   30.14
_cell_angle_alpha   90.0
_cell_angle_beta   92.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   11
_chemical_formula_structural   USe3
_chemical_formula_sum   'U2 Se6'
_cell_volume   682.56
_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, y+1/2, -z'
  4  'x, -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  0.26  0.75  0.05  1.0
  Se  Se1  2  0.06  0.25  0.11  1.0
  Se  Se2  2  0.25  0.25  0.98  1.0
  Se  Se3  2  0.49  0.25  0.11  1.0
