data_[In2Tc4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Tc  1.9000  1.3500  0.7417
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2899]
_cell_length_b [3.0940]
_cell_length_c [5.0979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InTc2Se]
_chemical_formula_sum '[In2 Tc4 Se2]'
_cell_volume [142.0641]
_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
[
  In  In0  2  0.0039  0.5000  0.5357  1
  Tc  Tc1  2  0.2635  0.0000  0.7850  1
  Tc  Tc2  2  0.4993  0.5000  0.0349  1
  Se  Se3  2  0.2333  0.5000  0.1444  1
]