data_K2BeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63
_cell_length_b   7.63
_cell_length_c   7.63
_cell_angle_alpha   144.13
_cell_angle_beta   144.13
_cell_angle_gamma   51.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BeBr
_chemical_formula_sum   'K2 Be1 Br1'
_cell_volume   151.58
_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  K2  1  0.0  0.0  0.87  1.0
  K  K3  1  0.0  0.35  0.43  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.35  0.0  0.43  1.0

data_K2BeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   7.63
_cell_angle_alpha   107.94
_cell_angle_beta   107.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BeBr
_chemical_formula_sum   'K2 Be1 Br1'
_cell_volume   151.58
_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  0.08  0.43  0.08  1.0
  K  K1  1  0.87  0.87  0.87  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.43  0.08  0.08  1.0

K K Be Br