data_NaBeCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   2.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeCo
_chemical_formula_sum   'Na1 Be1 Co1'
_cell_volume   39.75
_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  0.48  0.66  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.15  0.24  0.83  1.0

data_NaBeCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.49
_cell_length_b   4.29
_cell_length_c   4.29
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBeCo
_chemical_formula_sum   'Na1 Be1 Co1'
_cell_volume   39.75
_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  0.66  0.0  0.48  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.83  0.15  0.24  1.0

Na Be Co
Na Be Co 0 2 o o o 1 2 o o - 