data_Na2YMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   6.55
_cell_angle_alpha   95.81
_cell_angle_beta   95.81
_cell_angle_gamma   32.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YMg
_chemical_formula_sum   'Na2 Y1 Mg1'
_cell_volume   123.49
_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  0.36  0.0  0.47  1.0
  Na  Na2  1  0.34  0.0  0.96  1.0
  Y  Y3  1  0.32  0.0  0.06  1.0
  Mg  Mg0  1  0.44  0.0  0.8  1.0

data_Na2YMg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.96
_cell_length_c   6.55
_cell_angle_alpha   95.81
_cell_angle_beta   90.0
_cell_angle_gamma   106.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YMg
_chemical_formula_sum   'Na2 Y1 Mg1'
_cell_volume   123.49
_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  0.64  0.53  1.0
  Na  Na1  1  0.0  0.66  0.04  1.0
  Y  Y2  1  0.0  0.68  0.94  1.0
  Mg  Mg3  1  0.0  0.56  0.2  1.0

Na Na Y Mg
Na Na Y Mg 0 2 o o o 0 3 o o o 1 2 o o + 1 3 o o o 