data_[Li2Tc4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tc  1.9000  1.3500  0.7417
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1826]
_cell_length_b [3.0085]
_cell_length_c [4.8040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiTc2Se]
_chemical_formula_sum '[Li2 Tc4 Se2]'
_cell_volume [116.7741]
_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
[
  Li  Li0  2  0.4946  0.0000  0.4804  1
  Tc  Tc1  2  0.0043  0.0000  0.9803  1
  Tc  Tc2  2  0.2505  0.0000  0.7403  1
  Se  Se3  2  0.2506  0.5000  0.2990  1
]