data_U3Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U3Cr
_chemical_formula_sum   'U6 Cr2'
_cell_volume   150.28
_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  U2  1  0.0  0.8  0.83  1.0
  U  U3  1  0.35  0.14  0.83  1.0
  U  U4  1  0.65  0.14  0.83  1.0
  U  U5  1  0.91  0.24  0.28  1.0
  U  U6  1  0.56  0.9  0.28  1.0
  U  U7  1  0.27  0.9  0.28  1.0
  Cr  Cr0  1  0.0  0.36  0.28  1.0
  Cr  Cr1  1  0.91  0.68  0.83  1.0

data_U3Cr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.11
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   U3Cr
_chemical_formula_sum   'U6 Cr2'
_cell_volume   150.28
_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
  U  U0  2  0.22  0.1  0.88  1.0
  U  U1  2  0.22  0.46  0.22  1.0
  U  U2  2  0.22  0.81  0.88  1.0
  Cr  Cr3  2  0.22  0.54  0.34  1.0

U U U U U U Cr Cr
U U U U U U Cr Cr 0 7 - o o 0 1 o + o 1 2 o o o 3 6 + o o 3 4 o - o 4 5 o o o 