data_[Sr2Cu12Si7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.5497]
_cell_length_b [9.5497]
_cell_length_c [4.0125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Sr2Cu12Si7]
_chemical_formula_sum '[Sr2 Cu12 Si7]'
_cell_volume [316.8990]
_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
[
  Sr  Sr0  2  0.3333  0.6667  0.2487  1
  Cu  Cu1  6  0.0521  0.4300  0.7536  1
  Si  Si2  6  0.1045  0.7060  0.7446  1
  Cu  Cu3  6  0.1267  0.2593  0.2334  1
  Si  Si4  1  0.0000  0.0000  0.5000  1
]