data_[Ba4Ca2Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.9060]
_cell_length_b [3.8071]
_cell_length_c [8.5710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ba2CaTc]
_chemical_formula_sum '[Ba4 Ca2 Tc2]'
_cell_volume [334.9804]
_cell_formula_units_Z [2]
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  0.0946  0.0000  0.0750  1
  Ba  Ba1  2  0.2536  0.0000  0.6749  1
  Ca  Ca2  2  0.4376  0.0000  0.3760  1
  Tc  Tc3  2  0.2142  0.5000  0.3740  1
]