data_NaBeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.29
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   107.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeP2
_chemical_formula_sum   'Na1 Be1 P2'
_cell_volume   72.11
_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  0.95  0.0  0.93  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.4  0.64  0.96  1.0
  P  P3  1  0.49  0.64  0.89  1.0

data_NaBeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.75
_cell_length_c   6.14
_cell_angle_alpha   107.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeP2
_chemical_formula_sum   'Na1 Be1 P2'
_cell_volume   72.11
_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  0.0  0.05  0.07  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.36  0.51  0.11  1.0
  P  P3  1  0.36  0.6  0.04  1.0

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