data_[Fe2Tc2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Tc  1.9000  1.3500  0.7417
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1564]
_cell_length_b [3.3909]
_cell_length_c [6.7574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeTcSe2]
_chemical_formula_sum '[Fe2 Tc2 Se4]'
_cell_volume [185.1779]
_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
[
  Fe  Fe0  2  0.2612  0.5000  0.5922  1
  Tc  Tc1  2  0.0065  0.5000  0.6500  1
  Se  Se2  2  0.2845  0.0000  0.3669  1
  Se  Se3  2  0.4479  0.5000  0.8910  1
]