data_Na2SrSc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   7.05
_cell_angle_alpha   147.14
_cell_angle_beta   129.79
_cell_angle_gamma   61.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SrSc
_chemical_formula_sum   'Na2 Sr1 Sc1'
_cell_volume   144.89
_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  1.0  0.0  0.92  1.0
  Na  Na1  1  0.0  0.99  0.15  1.0
  Sr  Sr3  1  0.0  0.0  0.07  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0

data_Na2SrSc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   5.98
_cell_length_c   7.05
_cell_angle_alpha   115.11
_cell_angle_beta   106.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SrSc
_chemical_formula_sum   'Na2 Sr1 Sc1'
_cell_volume   144.89
_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  0.08  0.08  0.08  1.0
  Na  Na1  1  0.85  0.84  0.84  1.0
  Sr  Sr2  1  0.93  0.93  0.93  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0

Na Na Sr Sc