data_[Ta2Cr1Tc1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.8266]
_cell_length_b [4.2914]
_cell_length_c [5.2482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0857]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ta2CrTc]
_chemical_formula_sum '[Ta2 Cr1 Tc1]'
_cell_volume [62.8615]
_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  0.2470  0.0000  0.2537  1
  Cr  Cr1  1  0.0000  0.5000  0.5000  1
  Tc  Tc2  1  0.5000  0.5000  0.0000  1
]