data_[Cr2Ga2Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ga  1.8100  1.3000  0.7600
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.7276]
_cell_length_b [4.9883]
_cell_length_c [6.4621]
_cell_angle_alpha [92.7153]
_cell_angle_beta [99.4212]
_cell_angle_gamma [102.6740]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CrGaTc]
_chemical_formula_sum '[Cr2 Ga2 Tc2]'
_cell_volume [84.3086]
_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
[
  Cr  Cr0  1  0.0000  0.0000  0.0000  1
  Cr  Cr1  1  0.5000  0.5000  0.0000  1
  Ga  Ga2  2  0.0285  0.3097  0.3336  1
  Tc  Tc3  2  0.3957  0.8289  0.3131  1
]