data_KYBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   8.22
_cell_angle_alpha   103.3
_cell_angle_beta   103.3
_cell_angle_gamma   55.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYBe2
_chemical_formula_sum   'K1 Y1 Be2'
_cell_volume   109.4
_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  0.6  0.0  0.68  1.0
  Y  Y3  1  0.9  0.0  0.81  1.0
  Be  Be0  1  0.08  0.0  0.25  1.0
  Be  Be1  1  0.24  0.0  0.12  1.0

data_KYBe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.1
_cell_length_c   8.22
_cell_angle_alpha   103.3
_cell_angle_beta   90.0
_cell_angle_gamma   117.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYBe2
_chemical_formula_sum   'K1 Y1 Be2'
_cell_volume   109.4
_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  0.4  0.32  1.0
  Y  Y1  1  0.0  0.1  0.19  1.0
  Be  Be2  1  0.0  0.76  0.88  1.0
  Be  Be3  1  0.0  0.92  0.75  1.0

K Y Be Be