data_ReAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87
_cell_length_b   7.87
_cell_length_c   7.87
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAs4
_chemical_formula_sum   'Re4 As16'
_cell_volume   375.7
_cell_formula_units_Z   4
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
  Re  Re16  1  0.99  0.99  0.99  1.0
  Re  Re17  1  0.45  0.55  0.55  1.0
  Re  Re18  1  0.55  0.45  0.55  1.0
  Re  Re19  1  0.55  0.55  0.45  1.0
  As  As0  1  0.32  0.32  0.32  1.0
  As  As1  1  0.78  0.22  0.22  1.0
  As  As2  1  0.22  0.78  0.22  1.0
  As  As3  1  0.22  0.22  0.78  1.0
  As  As4  1  0.0  0.0  0.06  1.0
  As  As5  1  0.0  0.0  0.04  1.0
  As  As6  1  0.0  0.06  0.0  1.0
  As  As7  1  0.0  0.04  0.0  1.0
  As  As8  1  0.06  0.0  0.0  1.0
  As  As9  1  0.04  0.0  0.0  1.0
  As  As10  1  0.55  0.0  0.1  1.0
  As  As11  1  0.0  0.55  0.44  1.0
  As  As12  1  0.0  0.1  0.55  1.0
  As  As13  1  0.55  0.44  0.0  1.0
  As  As14  1  0.1  0.55  0.0  1.0
  As  As15  1  0.44  0.0  0.55  1.0

data_ReAs4
_symmetry_space_group_name_H-M   R3
_cell_length_a   12.86
_cell_length_b   12.86
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   ReAs4
_chemical_formula_sum   'Re12 As48'
_cell_volume   1127.11
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
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
  Re  Re0  9  0.03  0.97  0.52  1.0
  Re  Re1  3  0.0  0.0  0.99  1.0
  As  As2  9  0.0  0.55  1.0  1.0
  As  As3  9  0.02  0.01  0.01  1.0
  As  As4  9  0.04  0.52  0.74  1.0
  As  As5  9  0.04  0.02  0.02  1.0
  As  As6  9  0.12  0.34  0.88  1.0
  As  As7  3  0.0  0.0  0.32  1.0

Re Re Re Re As As As As As As As As As As As As As As As As
Re Re Re Re As As As As As As As As As As As As As As As As 0 11 + + + 0 13 + + + 0 9 + + + 1 2 o o o 1 3 o o o 1 4 o o o 2 3 o o o 2 4 o o o 3 4 o o o 5 14 o o o 5 15 + o o 6 18 o o o 6 19 o + o 7 16 o o o 7 17 o o + 8 9 o o o 10 11 o o o 12 13 o o o 