data_[Sr4Cu4Br14]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4958]
_cell_length_b [12.4329]
_cell_length_c [6.8417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Cu2Br7]
_chemical_formula_sum '[Sr4 Cu4 Br14]'
_cell_volume [793.4065]
_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  0.3049  0.5000  1.0
  Cu  Cu1  4  0.2341  0.0000  0.9096  1.0
  Br  Br2  8  0.2477  0.1693  0.7311  1.0
  Br  Br3  4  0.1094  0.5000  0.7624  1.0
  Br  Br4  2  0.0000  0.0000  0.0000  1.0
]