data_[Ba2Cr4Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.2018]
_cell_length_b [3.8915]
_cell_length_c [14.0820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaCr2Tc]
_chemical_formula_sum '[Ba2 Cr4 Tc2]'
_cell_volume [175.4571]
_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  0.0000  0.5000  0.3077  1
  Cr  Cr1  2  0.0000  0.0000  0.0244  1
  Cr  Cr2  2  0.0000  0.5000  0.6436  1
  Tc  Tc3  2  0.0000  0.0000  0.5242  1
]