data_K2BeFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44
_cell_length_b   8.44
_cell_length_c   3.43
_cell_angle_alpha   96.49
_cell_angle_beta   96.49
_cell_angle_gamma   22.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BeFe
_chemical_formula_sum   'K2 Be1 Fe1'
_cell_volume   92.26
_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  0.36  0.0  0.9  1.0
  K  K3  1  0.8  0.0  0.51  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.08  0.0  0.7  1.0

data_K2BeFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.43
_cell_length_c   8.44
_cell_angle_alpha   96.49
_cell_angle_beta   101.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BeFe
_chemical_formula_sum   'K2 Be1 Fe1'
_cell_volume   92.26
_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  0.51  0.8  1.0
  K  K1  1  0.0  0.9  0.36  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  0.0  0.7  0.08  1.0

K K Be Fe
K K Be Fe 0 3 o o o 1 2 + o o 1 2 + o + 1 3 + o o 2 3 o o - 