data_Zr2BeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.1
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   91.75
_cell_angle_gamma   90.0
_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  0.35  0.55  0.02  1.0
  Zr  Zr3  1  0.56  0.55  0.59  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.46  0.0  0.81  1.0

data_Zr2BeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.15
_cell_length_c   7.62
_cell_angle_alpha   91.75
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_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  0.45  0.44  0.41  1.0
  Zr  Zr1  1  0.45  0.65  0.98  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.0  0.54  0.19  1.0

Zr Zr Be Cl