data_[Y2Cr1Tc1]
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 [Pm]
_cell_length_a [3.3441]
_cell_length_b [3.9852]
_cell_length_c [6.9590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Y2CrTc]
_chemical_formula_sum '[Y2 Cr1 Tc1]'
_cell_volume [90.5124]
_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
[
  Y  Y0  1  0.5918  0.5000  0.3188  1
  Y  Y1  1  0.9097  0.0000  0.9333  1
  Cr  Cr2  1  0.1251  0.0000  0.5517  1
  Tc  Tc3  1  0.3735  0.5000  0.6963  1
]