data_NaSr2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   7.0
_cell_angle_alpha   135.59
_cell_angle_beta   135.59
_cell_angle_gamma   64.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Mg
_chemical_formula_sum   'Na1 Sr2 Mg1'
_cell_volume   165.3
_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  0.0  0.0  0.0  1.0
  Sr  Sr2  1  0.64  0.0  0.96  1.0
  Sr  Sr3  1  0.0  0.0  0.91  1.0
  Mg  Mg0  1  0.0  0.64  0.96  1.0

data_NaSr2Mg
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   7.0
_cell_angle_alpha   112.2
_cell_angle_beta   112.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Mg
_chemical_formula_sum   'Na1 Sr2 Mg1'
_cell_volume   165.3
_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  0.0  0.0  1.0
  Sr  Sr1  1  0.04  0.0  0.69  1.0
  Sr  Sr2  1  0.09  0.0  0.09  1.0
  Mg  Mg3  1  0.69  0.64  0.69  1.0

Na Sr Sr Mg