data_[Ta8Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6859]
_cell_length_b [4.7637]
_cell_length_c [2.9496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta4Sn]
_chemical_formula_sum '[Ta8 Sn2]'
_cell_volume [190.0476]
_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
[
  Ta  Ta0  4  0.1044  0.0000  0.4010  1
  Ta  Ta1  4  0.2055  0.5000  0.8045  1
  Sn  Sn2  2  0.0000  0.5000  0.0000  1
]