data_ZrCrB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   36.85
_cell_angle_beta   36.85
_cell_angle_gamma   36.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrB2
_chemical_formula_sum   'Zr1 Cr1 B2'
_cell_volume   46.52
_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
  Zr  Zr3  1  0.0  0.0  0.33  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.96  1.0
  B  B1  1  0.0  0.0  0.69  1.0

data_ZrCrB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.74
_cell_length_b   3.32
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   111.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrCrB2
_chemical_formula_sum   'Zr2 Cr2 B4'
_cell_volume   93.05
_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
  Zr  Zr0  2  0.0  0.0  0.67  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  B  B2  2  0.0  0.0  0.04  1.0
  B  B3  2  0.0  0.0  0.31  1.0

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