data_KBeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   3.9
_cell_angle_alpha   107.99
_cell_angle_beta   107.99
_cell_angle_gamma   87.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeCl2
_chemical_formula_sum   'K1 Be1 Cl2'
_cell_volume   105.79
_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
  K  K3  1  0.96  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.15  0.89  0.76  1.0
  Cl  Cl2  1  0.15  0.11  0.76  1.0

data_KBeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   87.47
_cell_angle_beta   72.01
_cell_angle_gamma   72.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeCl2
_chemical_formula_sum   'K1 Be1 Cl2'
_cell_volume   105.79
_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
  K  K0  1  0.0  0.04  0.0  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.76  0.85  0.11  1.0
  Cl  Cl3  1  0.76  0.85  0.89  1.0

K Be Cl Cl