data_CuTeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   5.04
_cell_angle_alpha   99.9
_cell_angle_beta   99.9
_cell_angle_gamma   38.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTeOs2
_chemical_formula_sum   'Cu1 Te1 Os2'
_cell_volume   65.06
_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  0.51  0.0  0.85  1.0
  Te  Te3  1  0.81  0.0  0.61  1.0
  Os  Os1  1  0.11  0.0  0.91  1.0
  Os  Os2  1  0.29  0.0  0.03  1.0

data_CuTeOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.59
_cell_length_c   5.04
_cell_angle_alpha   99.9
_cell_angle_beta   90.0
_cell_angle_gamma   109.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTeOs2
_chemical_formula_sum   'Cu1 Te1 Os2'
_cell_volume   65.06
_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  0.49  0.15  1.0
  Te  Te1  1  0.0  0.19  0.39  1.0
  Os  Os2  1  0.0  0.71  0.97  1.0
  Os  Os3  1  0.0  0.89  0.09  1.0

Cu Te Os Os