data_ScCr2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   137.65
_cell_angle_beta   137.65
_cell_angle_gamma   61.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCr2B
_chemical_formula_sum   'Sc1 Cr2 B1'
_cell_volume   49.83
_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
  Sc  Sc3  1  0.0  0.0  0.13  1.0
  Cr  Cr1  1  0.74  0.0  0.07  1.0
  Cr  Cr2  1  0.0  0.74  0.07  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_ScCr2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   120.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCr2B
_chemical_formula_sum   'Sc2 Cr4 B2'
_cell_volume   99.66
_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
  Sc  Sc0  2  0.37  0.5  0.87  1.0
  Cr  Cr1  4  0.3  0.37  0.67  1.0
  B  B2  2  0.0  0.0  0.0  1.0

Sc Cr Cr B
Sc Cr Cr B 0 3 o o o 0 1 - o o 0 2 o - o 