data_[Cu2Tc1Sb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Tc  1.9000  1.3500  0.7417
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8684]
_cell_length_b [4.2506]
_cell_length_c [5.1717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cu2TcSb]
_chemical_formula_sum '[Cu2 Tc1 Sb1]'
_cell_volume [63.0532]
_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  0.2514  0.5000  0.7529  1
  Cu  Cu1  1  0.6970  0.5000  0.2182  1
  Cu  Cu2  1  0.8014  0.0000  0.0074  1
  Sb  Sb3  1  0.7502  0.0000  0.5215  1
]