data_NaYBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.97
_cell_length_b   8.97
_cell_length_c   8.97
_cell_angle_alpha   22.11
_cell_angle_beta   22.11
_cell_angle_gamma   22.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYBe2
_chemical_formula_sum   'Na1 Y1 Be2'
_cell_volume   89.77
_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  Na2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.0  0.0  0.13  1.0
  Be  Be0  1  0.0  0.0  0.8  1.0
  Be  Be1  1  0.0  0.0  0.45  1.0

data_NaYBe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.96
_cell_length_b   3.44
_cell_length_c   8.97
_cell_angle_alpha   90.0
_cell_angle_beta   102.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaYBe2
_chemical_formula_sum   'Na2 Y2 Be4'
_cell_volume   179.53
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Y  Y1  2  0.0  0.0  0.87  1.0
  Be  Be2  2  0.0  0.0  0.2  1.0
  Be  Be3  2  0.0  0.0  0.55  1.0

Na Y Be Be