data_Na2BeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   126.77
_cell_angle_beta   126.77
_cell_angle_gamma   78.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BeP
_chemical_formula_sum   'Na2 Be1 P1'
_cell_volume   69.85
_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  0.16  0.0  0.87  1.0
  Na  Na2  1  0.0  0.0  0.73  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.16  0.87  1.0

data_Na2BeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   4.83
_cell_angle_alpha   116.61
_cell_angle_beta   116.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BeP
_chemical_formula_sum   'Na2 Be1 P1'
_cell_volume   69.85
_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  0.13  0.0  0.29  1.0
  Na  Na1  1  0.27  0.0  0.27  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.29  0.16  0.29  1.0

Na Na Be P
Na Na Be P 0 1 o o o 0 2 o o + 1 3 o o o 1 2 o o + 2 3 o o - 