data_Na2BeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   4.19
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BeSe
_chemical_formula_sum   'Na2 Be1 Se1'
_cell_volume   80.91
_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  0.5  0.09  0.65  1.0
  Na  Na2  1  0.5  0.09  0.8  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.22  1.0

data_Na2BeSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.19
_cell_length_b   3.0
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Na2BeSe
_chemical_formula_sum   'Na2 Be1 Se1'
_cell_volume   80.91
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.09  0.5  0.65  1.0
  Na  Na1  1  0.09  0.5  0.8  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.22  1.0

Na Na Be Se
Na Na Be Se 0 1 o o o 2 3 o o o 