data_[Fe2Tc1Te1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Tc  1.9000  1.3500  0.7417
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.9890]
_cell_length_b [4.3165]
_cell_length_c [4.8585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Fe2TcTe]
_chemical_formula_sum '[Fe2 Tc1 Te1]'
_cell_volume [62.6840]
_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
[
  Fe  Fe0  2  0.1514  0.0000  0.2177  1
  Tc  Tc1  1  0.5000  0.5000  0.0000  1
  Te  Te2  1  0.0000  0.5000  0.5000  1
]