data_ZrBCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   9.05
_cell_angle_alpha   103.47
_cell_angle_beta   103.47
_cell_angle_gamma   55.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBCl2
_chemical_formula_sum   'Zr1 B1 Cl2'
_cell_volume   97.36
_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  0.61  0.0  0.99  1.0
  B  B0  1  0.55  0.0  0.82  1.0
  Cl  Cl1  1  0.66  0.0  0.8  1.0
  Cl  Cl2  1  0.3  0.0  0.23  1.0

data_ZrBCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   3.68
_cell_length_c   8.94
_cell_angle_alpha   79.85
_cell_angle_beta   79.0
_cell_angle_gamma   62.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBCl2
_chemical_formula_sum   'Zr1 B1 Cl2'
_cell_volume   97.36
_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  Zr0  1  0.0  0.62  0.99  1.0
  B  B1  1  0.0  0.72  0.82  1.0
  Cl  Cl2  1  0.0  0.07  0.23  1.0
  Cl  Cl3  1  0.0  0.87  0.8  1.0

Zr B Cl Cl