data_[Tl2Tc4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Tc  1.9000  1.3500  0.7417
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4247]
_cell_length_b [2.9024]
_cell_length_c [4.9250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlTc2Os]
_chemical_formula_sum '[Tl2 Tc4 Os2]'
_cell_volume [132.0512]
_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
[
  Tl  Tl0  2  0.4982  0.0000  0.4899  1
  Tc  Tc1  2  0.0021  0.0000  0.9832  1
  Tc  Tc2  2  0.2326  0.5000  0.2248  1
  Os  Os3  2  0.2670  0.0000  0.8021  1
]