data_[Cr1Cu2Tc1]
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 [2.4933]
_cell_length_b [4.1722]
_cell_length_c [4.9025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6840]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CrCu2Tc]
_chemical_formula_sum '[Cr1 Cu2 Tc1]'
_cell_volume [50.7480]
_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  0.2727  0.5000  0.7474  1
  Tc  Tc1  1  0.4620  0.0000  0.5059  1
  Cu  Cu2  1  0.8767  0.5000  0.2451  1
  Cu  Cu3  1  0.8886  0.0000  0.0016  1
]