data_Zr2BeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   6.69
_cell_angle_alpha   105.88
_cell_angle_beta   105.88
_cell_angle_gamma   58.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BeCl
_chemical_formula_sum   'Zr2 Be1 Cl1'
_cell_volume   74.17
_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  Zr2  1  0.34  0.0  0.29  1.0
  Zr  Zr3  1  0.02  0.0  0.06  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.18  0.0  0.18  1.0

data_Zr2BeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.7
_cell_length_c   6.69
_cell_angle_alpha   105.88
_cell_angle_beta   90.0
_cell_angle_gamma   119.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BeCl
_chemical_formula_sum   'Zr2 Be1 Cl1'
_cell_volume   74.17
_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  0.66  0.71  1.0
  Zr  Zr1  1  0.0  0.98  0.94  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.0  0.82  0.82  1.0

Zr Zr Be Cl
Zr Zr Be Cl 0 3 o o o 1 2 o o o 1 3 o o o 