data_[Sr12Cu16]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4980]
_cell_length_b [11.1204]
_cell_length_c [13.7912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3Cu4]
_chemical_formula_sum '[Sr12 Cu16]'
_cell_volume [689.8240]
_cell_formula_units_Z [4]
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  8  0.0000  0.2309  0.1041  1
  Sr  Sr1  4  0.0000  0.4838  0.7500  1
  Cu  Cu2  8  0.0000  0.0555  0.5811  1
  Cu  Cu3  4  0.0000  0.1715  0.7500  1
  Cu  Cu4  4  0.0000  0.5000  0.0000  1
]