data_BeZnCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   130.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnCl2
_chemical_formula_sum   'Be1 Zn1 Cl2'
_cell_volume   91.28
_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  0.0  0.1  1.0
  Zn  Zn3  1  0.57  0.0  0.13  1.0
  Cl  Cl1  1  0.57  0.0  0.77  1.0
  Cl  Cl2  1  0.0  0.0  0.86  1.0

data_BeZnCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.74
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnCl2
_chemical_formula_sum   'Be1 Zn1 Cl2'
_cell_volume   91.28
_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  0.0  0.1  1.0
  Zn  Zn1  1  0.0  0.57  0.13  1.0
  Cl  Cl2  1  0.0  0.0  0.86  1.0
  Cl  Cl3  1  0.0  0.57  0.77  1.0

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