data_Co2CuTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56
_cell_length_b   2.56
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2CuTc
_chemical_formula_sum   'Co2 Cu1 Tc1'
_cell_volume   48.36
_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
  Co  Co0  1  0.0  0.0  0.28  1.0
  Co  Co1  1  0.79  0.0  0.64  1.0
  Cu  Cu2  1  0.0  0.0  0.81  1.0
  Tc  Tc3  1  0.79  0.0  0.78  1.0

data_Co2CuTc
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.56
_cell_length_b   2.56
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Co2CuTc
_chemical_formula_sum   'Co2 Cu1 Tc1'
_cell_volume   48.37
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Co  Co0  1  0.0  0.0  0.28  1.0
  Co  Co1  1  0.79  0.0  0.64  1.0
  Cu  Cu2  1  0.0  0.0  0.81  1.0
  Tc  Tc3  1  0.79  0.0  0.78  1.0

Co Co Cu Tc
Co Co Cu Tc 0 0 o + o 0 0 + o o 0 1 - o o 1 3 o o o 2 3 - o o 