data_ZnCr2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   142.82
_cell_angle_beta   125.11
_cell_angle_gamma   68.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2B
_chemical_formula_sum   'Zn1 Cr2 B1'
_cell_volume   44.35
_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
  Zn  Zn3  1  0.0  0.0  0.73  1.0
  Cr  Cr1  1  0.0  0.07  0.26  1.0
  Cr  Cr2  1  0.43  0.0  0.46  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_ZnCr2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.15
_cell_length_c   4.5
_cell_angle_alpha   117.44
_cell_angle_beta   108.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2B
_chemical_formula_sum   'Zn1 Cr2 B1'
_cell_volume   44.35
_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
  Zn  Zn0  1  0.0  0.73  0.73  1.0
  Cr  Cr1  1  0.0  0.46  0.03  1.0
  Cr  Cr2  1  0.93  0.19  0.19  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Zn Cr Cr B