data_[Cr2Cu1Tc1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.4948]
_cell_length_b [4.1092]
_cell_length_c [5.0070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cr2CuTc]
_chemical_formula_sum '[Cr2 Cu1 Tc1]'
_cell_volume [50.2237]
_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
[
  Cr  Cr0  1  0.7572  0.5000  0.2440  1
  Cr  Cr1  1  0.9663  0.0000  0.0130  1
  Tc  Tc2  1  0.2187  0.5000  0.7482  1
  Cu  Cu3  1  0.5578  0.0000  0.4948  1
]