data_[Cr4Tc2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  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 [8.6989]
_cell_length_b [2.9894]
_cell_length_c [4.4885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cr2TcSe]
_chemical_formula_sum '[Cr4 Tc2 Se2]'
_cell_volume [112.4757]
_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
[
  Cr  Cr0  2  0.2527  0.0000  0.8035  1
  Cr  Cr1  2  0.4877  0.5000  0.9283  1
  Tc  Tc2  2  0.2601  0.5000  0.3111  1
  Se  Se3  2  0.4996  0.0000  0.4571  1
]