data_[Ta1Mn1Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7190]
_cell_length_b [4.3672]
_cell_length_c [5.1342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5772]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TaMnTc2]
_chemical_formula_sum '[Ta1 Mn1 Tc2]'
_cell_volume [59.9289]
_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  1  0.2401  0.5000  0.7454  1
  Mn  Mn1  1  0.5046  0.0000  0.4962  1
  Tc  Tc2  1  0.0097  0.0000  0.0067  1
  Tc  Tc3  1  0.7456  0.5000  0.2517  1
]