data_[Sr2Ca10Mg6]
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 [P6_3/mcm]
_cell_length_a [10.2431]
_cell_length_b [10.2431]
_cell_length_c [7.1912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [SrCa5Mg3]
_chemical_formula_sum '[Sr2 Ca10 Mg6]'
_cell_volume [653.4254]
_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  2  0.0000  0.0000  0.0000  1.0
  Ca  Ca1  6  0.0000  0.3385  0.2500  1.0
  Ca  Ca2  4  0.3333  0.6667  0.0000  1.0
  Mg  Mg3  6  0.0000  0.3340  0.7500  1.0
]