data_[K1Li2Be1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.0433]
_cell_length_b [4.1309]
_cell_length_c [8.0557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KLi2Be]
_chemical_formula_sum '[K1 Li2 Be1]'
_cell_volume [99.5572]
_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  0.1821  0.5000  0.7122  1
  Li  Li1  1  0.8686  0.0000  0.0987  1
  Li  Li2  1  0.9560  0.5000  0.3106  1
  Be  Be3  1  0.4933  0.0000  0.3785  1
]