data_[Sr6Zn14Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9848]
_cell_length_b [4.3575]
_cell_length_c [9.5834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Zn7Cu4]
_chemical_formula_sum '[Sr6 Zn14 Cu8]'
_cell_volume [549.5141]
_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  0.1976  0.5000  0.1949  1
  Sr  Sr1  2  0.0000  0.0000  0.5000  1
  Zn  Zn2  4  0.0010  0.5000  0.2099  1
  Zn  Zn3  4  0.1331  0.0000  0.9073  1
  Zn  Zn4  4  0.1768  0.5000  0.5158  1
  Zn  Zn5  2  0.0000  0.0000  0.0000  1
  Cu  Cu6  4  0.1186  0.0000  0.3306  1
  Cu  Cu7  4  0.1632  0.5000  0.8041  1
]