data_BeZnCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   3.23
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   105.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnCl2
_chemical_formula_sum   'Be1 Zn1 Cl2'
_cell_volume   75.07
_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
  Be  Be0  1  0.52  0.0  0.69  1.0
  Zn  Zn3  1  0.58  0.62  0.58  1.0
  Cl  Cl1  1  0.79  0.62  0.66  1.0
  Cl  Cl2  1  0.14  0.0  0.46  1.0

data_BeZnCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.15
_cell_length_c   5.81
_cell_angle_alpha   105.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnCl2
_chemical_formula_sum   'Be1 Zn1 Cl2'
_cell_volume   75.07
_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
  Be  Be0  1  0.0  0.48  0.31  1.0
  Zn  Zn1  1  0.38  0.42  0.42  1.0
  Cl  Cl2  1  0.0  0.86  0.54  1.0
  Cl  Cl3  1  0.38  0.21  0.34  1.0

Be Zn Cl Cl
Be Zn Cl Cl 0 3 o o o 0 2 o - o 0 1 o - o 1 2 o o o 