data_[Ba2Tc2B2Se2]
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
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2730]
_cell_length_b [3.8445]
_cell_length_c [6.4459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaTcBSe]
_chemical_formula_sum '[Ba2 Tc2 B2 Se2]'
_cell_volume [179.0830]
_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  0.2805  0.5000  0.7230  1
  Tc  Tc1  2  0.3513  0.0000  0.2433  1
  B  B2  2  0.4231  0.5000  0.3688  1
  Se  Se3  2  0.1028  0.5000  0.1319  1
]