data_[Ba4Cu4Sn4]
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 [C2/m]
_cell_length_a [13.3475]
_cell_length_b [4.4652]
_cell_length_c [6.1950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCuSn]
_chemical_formula_sum '[Ba4 Cu4 Sn4]'
_cell_volume [360.2729]
_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
[
  Ba  Ba0  4  0.1063  0.5000  0.3045  1.0
  Cu  Cu1  4  0.2177  0.5000  0.8922  1.0
  Sn  Sn2  4  0.1178  0.0000  0.7809  1.0
]