data_[Sr16Ca4Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.0658]
_cell_length_b [5.8204]
_cell_length_c [9.0072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8Ca2Mg]
_chemical_formula_sum '[Sr16 Ca4 Mg2]'
_cell_volume [1068.8390]
_cell_formula_units_Z [2]
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
[
  Sr  Sr0  4  0.0432  0.0000  0.7383  1.0
  Sr  Sr1  4  0.0916  0.5000  0.4421  1.0
  Sr  Sr2  4  0.1378  0.0000  0.1827  1.0
  Sr  Sr3  4  0.1781  0.5000  0.9112  1.0
  Ca  Ca4  4  0.2239  0.0000  0.6322  1.0
  Mg  Mg5  2  0.0000  0.5000  0.0000  1.0
]