data_NaBeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.76
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   103.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeSi2
_chemical_formula_sum   'Na1 Be1 Si2'
_cell_volume   74.26
_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
  Na  Na1  1  0.87  0.0  0.08  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.34  0.88  0.21  1.0
  Si  Si3  1  0.4  0.88  0.95  1.0

data_NaBeSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.76
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   103.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeSi2
_chemical_formula_sum   'Na1 Be1 Si2'
_cell_volume   74.26
_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
  Na  Na0  1  0.87  0.0  0.08  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.34  0.88  0.21  1.0
  Si  Si3  1  0.4  0.88  0.95  1.0

Na Be Si Si