data_CuTc2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.67
_cell_angle_alpha   99.65
_cell_angle_beta   99.65
_cell_angle_gamma   33.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTc2Os
_chemical_formula_sum   'Cu1 Tc2 Os1'
_cell_volume   56.33
_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  0.13  0.0  0.29  1.0
  Tc  Tc2  1  0.22  0.0  0.57  1.0
  Tc  Tc3  1  0.54  0.0  0.15  1.0
  Os  Os1  1  0.71  0.0  0.48  1.0

data_CuTc2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.67
_cell_length_c   4.73
_cell_angle_alpha   99.65
_cell_angle_beta   106.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTc2Os
_chemical_formula_sum   'Cu1 Tc2 Os1'
_cell_volume   56.33
_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  0.15  0.54  1.0
  Cu  Cu1  1  0.0  0.29  0.13  1.0
  Tc  Tc2  1  0.0  0.57  0.22  1.0
  Os  Os3  1  0.0  0.48  0.71  1.0

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