data_Cu2TcTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93
_cell_length_b   8.93
_cell_length_c   8.93
_cell_angle_alpha   19.12
_cell_angle_beta   19.12
_cell_angle_gamma   19.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TcTe
_chemical_formula_sum   'Cu2 Tc1 Te1'
_cell_volume   66.87
_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
  Cu  Cu0  1  0.0  0.0  0.55  1.0
  Cu  Cu1  1  0.0  0.0  0.75  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.15  1.0

data_Cu2TcTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   2.97
_cell_length_c   8.93
_cell_angle_alpha   90.0
_cell_angle_beta   101.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2TcTe
_chemical_formula_sum   'Cu4 Tc2 Te2'
_cell_volume   133.74
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Tc  Tc0  2  0.0  0.0  0.0  1.0
  Cu  Cu1  2  0.0  0.0  0.25  1.0
  Cu  Cu2  2  0.0  0.0  0.45  1.0
  Te  Te3  2  0.0  0.0  0.85  1.0

Cu Cu Tc Te
Cu Cu Tc Te 0 1 o o o 2 3 o o o 