data_KBeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08
_cell_length_b   8.08
_cell_length_c   8.08
_cell_angle_alpha   25.58
_cell_angle_beta   25.58
_cell_angle_gamma   25.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeSe2
_chemical_formula_sum   'K1 Be1 Se2'
_cell_volume   86.45
_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  K1  1  0.0  0.0  0.71  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.0  0.98  1.0
  Se  Se3  1  0.0  0.0  0.45  1.0

data_KBeSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.19
_cell_length_b   3.58
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   104.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KBeSe2
_chemical_formula_sum   'K2 Be2 Se4'
_cell_volume   172.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.29  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Se  Se2  2  0.0  0.0  0.02  1.0
  Se  Se3  2  0.0  0.0  0.55  1.0

K Be Se Se