data_[Sr8Ti4Cr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.3173]
_cell_length_b [6.3173]
_cell_length_c [15.2886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Sr4Ti2Cr]
_chemical_formula_sum '[Sr8 Ti4 Cr2]'
_cell_volume [610.1502]
_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  0.0000  0.0000  0.2104  1
  Sr  Sr1  4  0.0000  0.5000  0.0000  1
  Ti  Ti2  4  0.0000  0.0000  0.4346  1
  Cr  Cr3  2  0.0000  0.0000  0.0000  1
]