data_Cu2TcP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   132.72
_cell_angle_beta   132.72
_cell_angle_gamma   69.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TcP
_chemical_formula_sum   'Cu2 Tc1 P1'
_cell_volume   50.07
_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  0.75  1.0
  Cu  Cu1  1  0.0  0.83  0.88  1.0
  Tc  Tc3  1  0.83  0.0  0.88  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Cu2TcP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   4.55
_cell_angle_alpha   113.64
_cell_angle_beta   113.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TcP
_chemical_formula_sum   'Cu2 Tc1 P1'
_cell_volume   50.07
_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
  Tc  Tc0  1  0.12  0.0  0.95  1.0
  Cu  Cu1  1  0.25  0.0  0.25  1.0
  Cu  Cu2  1  0.95  0.83  0.95  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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