data_[Sr4Cu4Cl14]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0081]
_cell_length_b [11.8122]
_cell_length_c [6.4648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Cu2Cl7]
_chemical_formula_sum '[Sr4 Cu4 Cl14]'
_cell_volume [675.8964]
_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  0.3051  0.5000  1.0
  Cu  Cu1  4  0.2315  0.0000  0.9130  1.0
  Cl  Cl2  8  0.2450  0.1664  0.7264  1.0
  Cl  Cl3  4  0.1075  0.5000  0.7639  1.0
  Cl  Cl4  2  0.0000  0.0000  0.0000  1.0
]