data_KBe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   123.05
_cell_angle_beta   117.29
_cell_angle_gamma   89.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBe2Sn
_chemical_formula_sum   'K1 Be2 Sn1'
_cell_volume   77.91
_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  0.0  1.0
  Be  Be0  1  0.0  0.5  0.51  1.0
  Be  Be1  1  0.29  0.0  0.89  1.0
  Sn  Sn3  1  0.0  0.0  0.4  1.0

data_KBe2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   62.71
_cell_angle_beta   61.53
_cell_angle_gamma   61.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBe2Sn
_chemical_formula_sum   'K1 Be2 Sn1'
_cell_volume   77.91
_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  0.0  0.0  1.0
  Be  Be1  1  0.51  0.0  0.99  1.0
  Be  Be2  1  0.6  0.29  0.11  1.0
  Sn  Sn3  1  0.4  0.0  0.6  1.0

K Be Be Sn