data_Cu2TcOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.62
_cell_angle_alpha   99.56
_cell_angle_beta   99.56
_cell_angle_gamma   33.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TcOs
_chemical_formula_sum   'Cu2 Tc1 Os1'
_cell_volume   53.93
_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  0.47  0.0  0.14  1.0
  Cu  Cu1  1  0.62  0.0  0.41  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.05  0.0  0.28  1.0

data_Cu2TcOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.62
_cell_length_c   4.64
_cell_angle_alpha   99.56
_cell_angle_beta   106.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TcOs
_chemical_formula_sum   'Cu2 Tc1 Os1'
_cell_volume   53.93
_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  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.14  0.47  1.0
  Cu  Cu2  1  0.0  0.41  0.62  1.0
  Os  Os3  1  0.0  0.28  0.05  1.0

Cu Cu Tc Os
Cu Cu Tc Os 0 1 o o o 2 3 o o o 