data_BeSb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   4.49
_cell_angle_alpha   109.31
_cell_angle_beta   109.31
_cell_angle_gamma   104.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSb2Cl
_chemical_formula_sum   'Be1 Sb2 Cl1'
_cell_volume   91.64
_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  0.0  1.0
  Sb  Sb2  1  0.31  0.99  0.88  1.0
  Sb  Sb3  1  0.31  0.01  0.88  1.0
  Cl  Cl1  1  0.06  0.0  0.0  1.0

data_BeSb2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   104.9
_cell_angle_beta   109.31
_cell_angle_gamma   109.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSb2Cl
_chemical_formula_sum   'Be1 Sb2 Cl1'
_cell_volume   91.64
_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  0.0  1.0
  Sb  Sb1  1  0.88  0.31  0.01  1.0
  Sb  Sb2  1  0.88  0.31  0.99  1.0
  Cl  Cl3  1  -0.0  0.06  0.0  1.0

Be Sb Sb Cl