data_[Ba6Cu4Sn14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.8088]
_cell_length_b [29.2959]
_cell_length_c [4.9461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba3Cu2Sn7]
_chemical_formula_sum '[Ba6 Cu4 Sn14]'
_cell_volume [696.7963]
_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
[
  Ba  Ba0  4  0.0000  0.1824  0.0000  1.0
  Ba  Ba1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.0000  0.3698  0.5000  1.0
  Sn  Sn3  4  0.0000  0.0884  0.5000  1.0
  Sn  Sn4  4  0.0000  0.2788  0.5000  1.0
  Sn  Sn5  4  0.0000  0.4128  0.0000  1.0
  Sn  Sn6  2  0.0000  0.0000  0.0000  1.0
]