data_[Y4Cr2Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cr  1.6600  1.4000  0.9400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.4121]
_cell_length_b [4.9627]
_cell_length_c [10.0942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Y2CrTc]
_chemical_formula_sum '[Y4 Cr2 Tc2]'
_cell_volume [170.9266]
_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
[
  Y  Y0  2  0.0000  0.0000  0.7630  1
  Y  Y1  2  0.0000  0.5000  0.9821  1
  Cr  Cr2  2  0.0000  0.5000  0.5493  1
  Tc  Tc3  2  0.0000  0.0000  0.2056  1
]