data_ZrBeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   4.39
_cell_angle_alpha   98.32
_cell_angle_beta   98.32
_cell_angle_gamma   27.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBeCl2
_chemical_formula_sum   'Zr1 Be1 Cl2'
_cell_volume   88.75
_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  0.15  0.0  0.17  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.78  0.0  0.25  1.0
  Cl  Cl2  1  0.53  0.0  0.09  1.0

data_ZrBeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.39
_cell_length_c   6.67
_cell_angle_alpha   98.32
_cell_angle_beta   103.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBeCl2
_chemical_formula_sum   'Zr1 Be1 Cl2'
_cell_volume   88.75
_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  0.17  0.15  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.09  0.53  1.0
  Cl  Cl3  1  0.0  0.25  0.78  1.0

Zr Be Cl Cl