data_Cr3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3B
_chemical_formula_sum   'Cr6 B2'
_cell_volume   80.0
_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
  Cr  Cr2  1  0.0  0.39  0.01  1.0
  Cr  Cr3  1  0.2  0.46  0.01  1.0
  Cr  Cr4  1  0.8  0.46  0.01  1.0
  Cr  Cr5  1  0.4  0.77  0.0  1.0
  Cr  Cr6  1  0.2  0.69  0.0  1.0
  Cr  Cr7  1  0.6  0.69  0.0  1.0
  B  B0  1  0.0  0.77  0.0  1.0
  B  B1  1  0.4  0.39  0.01  1.0

data_Cr3B
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   4.8
_cell_length_b   4.01
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   Cr3B
_chemical_formula_sum   'Cr6 B2'
_cell_volume   80.0
_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, -z'
  4  '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
  Cr  Cr0  2  0.0  0.0  0.39  1.0
  Cr  Cr1  2  0.2  0.0  0.69  1.0
  Cr  Cr2  2  0.4  0.0  0.61  1.0
  B  B3  2  0.2  0.0  0.31  1.0

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