data_[Ba4Co4Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Co  1.8800  1.3500  0.7683
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7375]
_cell_length_b [6.0119]
_cell_length_c [5.1891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaCoTc]
_chemical_formula_sum '[Ba4 Co4 Tc4]'
_cell_volume [262.3314]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  2  0.0572  0.0000  0.6599  1
  Ba  Ba1  2  0.2981  0.5000  0.9068  1
  Co  Co2  4  0.1808  0.2467  0.2925  1
  Tc  Tc3  2  0.3797  0.0000  0.3284  1
  Tc  Tc4  2  0.4802  0.0000  0.9855  1
]