data_ReTeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   152.36
_cell_angle_beta   152.36
_cell_angle_gamma   39.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTeOs
_chemical_formula_sum   'Re1 Te1 Os1'
_cell_volume   53.58
_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
  Re  Re1  1  0.0  0.0  0.16  1.0
  Te  Te2  1  0.0  0.0  0.93  1.0
  Os  Os0  1  0.0  0.0  0.6  1.0

data_ReTeOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   109.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReTeOs
_chemical_formula_sum   'Re2 Te2 Os2'
_cell_volume   107.16
_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
  Re  Re0  2  0.0  0.0  0.84  1.0
  Te  Te1  2  0.0  0.0  0.07  1.0
  Os  Os2  2  0.0  0.0  0.4  1.0

Re Te Os
Re Te Os 0 1 o o - 1 2 o o o 