data_KBe2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   3.02
_cell_angle_alpha   99.93
_cell_angle_beta   99.93
_cell_angle_gamma   110.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBe2Tl
_chemical_formula_sum   'K1 Be2 Tl1'
_cell_volume   91.5
_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  0.2  0.6  0.44  1.0
  Be  Be1  1  0.2  0.4  0.44  1.0
  Tl  Tl3  1  0.31  0.0  0.0  1.0

data_KBe2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   110.82
_cell_angle_beta   99.93
_cell_angle_gamma   99.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBe2Tl
_chemical_formula_sum   'K1 Be2 Tl1'
_cell_volume   91.5
_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  0.44  0.2  0.4  1.0
  Be  Be2  1  0.44  0.2  0.6  1.0
  Tl  Tl3  1  0.0  0.31  0.0  1.0

K Be Be Tl