data_KBeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   6.97
_cell_angle_alpha   94.07
_cell_angle_beta   94.07
_cell_angle_gamma   41.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeSi2
_chemical_formula_sum   'K1 Be1 Si2'
_cell_volume   79.9
_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  0.65  0.0  0.76  1.0
  Be  Be0  1  0.74  0.0  0.36  1.0
  Si  Si2  1  0.16  0.0  0.25  1.0
  Si  Si3  1  0.51  0.0  0.99  1.0

data_KBeSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.15
_cell_length_c   6.97
_cell_angle_alpha   94.07
_cell_angle_beta   90.0
_cell_angle_gamma   110.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeSi2
_chemical_formula_sum   'K1 Be1 Si2'
_cell_volume   79.9
_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  0.35  0.24  1.0
  Be  Be1  1  0.0  0.26  0.64  1.0
  Si  Si2  1  0.0  0.49  0.01  1.0
  Si  Si3  1  0.0  0.84  0.75  1.0

K Be Si Si