data_[Ba2Tc2W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tc  1.9000  1.3500  0.7417
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6432]
_cell_length_b [3.2059]
_cell_length_c [6.4614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaTcW2]
_chemical_formula_sum '[Ba2 Tc2 W4]'
_cell_volume [194.6561]
_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  2  0.4941  0.0000  0.4958  1
  Tc  Tc1  2  0.2166  0.5000  0.1261  1
  W  W2  2  0.0023  0.0000  0.0048  1
  W  W3  2  0.2870  0.0000  0.8733  1
]