data_[Fe1Tc2Sb1]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.9360]
_cell_length_b [3.7757]
_cell_length_c [5.7286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [FeTc2Sb]
_chemical_formula_sum '[Fe1 Tc2 Sb1]'
_cell_volume [63.2541]
_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  1  0.5000  0.5000  0.0000  1
  Tc  Tc1  2  0.0585  0.0000  0.2129  1
  Sb  Sb2  1  0.5000  0.5000  0.5000  1
]