data_NaSrBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   122.81
_cell_angle_beta   122.81
_cell_angle_gamma   85.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSrBe2
_chemical_formula_sum   'Na1 Sr1 Be2'
_cell_volume   83.86
_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  0.67  1.0
  Sr  Sr3  1  0.0  0.39  0.84  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.39  0.0  0.84  1.0

data_NaSrBe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.99
_cell_angle_alpha   118.6
_cell_angle_beta   118.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSrBe2
_chemical_formula_sum   'Na1 Sr1 Be2'
_cell_volume   83.86
_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  0.67  0.67  0.67  1.0
  Sr  Sr1  1  0.45  0.84  0.45  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Be  Be3  1  0.84  0.45  0.45  1.0

Na Sr Be Be
Na Sr Be Be 0 1 o o o 0 3 o o o 0 2 o o + 