data_[Si4Tc2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Tc  1.9000  1.3500  0.7417
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9296]
_cell_length_b [2.9938]
_cell_length_c [5.5028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Si2TcSe]
_chemical_formula_sum '[Si4 Tc2 Se2]'
_cell_volume [140.1429]
_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
[
  Si  Si0  2  0.0125  0.0000  0.0008  1
  Si  Si1  2  0.1876  0.0000  0.6186  1
  Tc  Tc2  2  0.4688  0.0000  0.6245  1
  Se  Se3  2  0.3311  0.5000  0.2560  1
]