data_[Cu2Si2Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.5365]
_cell_length_b [11.4997]
_cell_length_c [16.2476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CuSiTc2]
_chemical_formula_sum '[Cu2 Si2 Tc4]'
_cell_volume [1781.8297]
_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
[
  Tc  Tc0  4  0.2392  0.0000  0.0000  1
  Si  Si1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  2  0.0000  0.5000  0.5000  1
]