data_[Ta2Cu1Tc1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.7826]
_cell_length_b [4.1081]
_cell_length_c [5.6700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4266]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ta2CuTc]
_chemical_formula_sum '[Ta2 Cu1 Tc1]'
_cell_volume [64.1156]
_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
[
  Ta  Ta0  2  0.0866  0.0000  0.7559  1
  Tc  Tc1  1  0.5000  0.5000  0.0000  1
  Cu  Cu2  1  0.5000  0.5000  0.5000  1
]