data_[Tc2Te1Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.1080]
_cell_length_b [3.5853]
_cell_length_c [7.8664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tc2TeCl]
_chemical_formula_sum '[Tc2 Te1 Cl1]'
_cell_volume [86.0648]
_cell_formula_units_Z [1]
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  1  0.1957  0.0000  0.0575  1
  Tc  Tc1  1  0.8249  0.5000  0.2039  1
  Te  Te2  1  0.3852  0.0000  0.4128  1
  Cl  Cl3  1  0.0942  0.5000  0.8258  1
]