data_[Si2Tc4As2]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7430]
_cell_length_b [3.0447]
_cell_length_c [4.4681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SiTc2As]
_chemical_formula_sum '[Si2 Tc4 As2]'
_cell_volume [113.6455]
_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  2  0.0048  0.0000  0.0740  1
  Si  Si1  2  0.2450  0.5000  0.1971  1
  Tc  Tc2  2  0.2479  0.0000  0.6895  1
  As  As3  2  0.0024  0.5000  0.5395  1
]