data_Cu2TeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   135.75
_cell_angle_beta   135.75
_cell_angle_gamma   64.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TeOs
_chemical_formula_sum   'Cu2 Te1 Os1'
_cell_volume   61.54
_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  0.9  0.0  0.13  1.0
  Cu  Cu1  1  0.0  0.9  0.13  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.27  1.0

data_Cu2TeOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   122.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2TeOs
_chemical_formula_sum   'Cu4 Te2 Os2'
_cell_volume   123.07
_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
  Cu  Cu0  4  0.32  0.45  0.77  1.0
  Te  Te1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.23  0.5  0.73  1.0

Cu Cu Te Os