data_Na2BeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   157.38
_cell_angle_beta   127.31
_cell_angle_gamma   58.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BeMo
_chemical_formula_sum   'Na2 Be1 Mo1'
_cell_volume   78.86
_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  0.07  1.0
  Na  Na3  1  0.25  0.0  0.13  1.0
  Be  Be0  1  0.0  0.0  0.84  1.0
  Mo  Mo1  1  0.0  0.83  0.25  1.0

data_Na2BeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   5.66
_cell_length_c   6.37
_cell_angle_alpha   116.34
_cell_angle_beta   101.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BeMo
_chemical_formula_sum   'Na2 Be1 Mo1'
_cell_volume   78.86
_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  0.12  0.87  0.12  1.0
  Na  Na1  1  0.93  0.93  0.93  1.0
  Be  Be2  1  0.16  0.16  0.16  1.0
  Mo  Mo3  1  0.75  0.58  0.58  1.0

Na Na Be Mo