data_TeMo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   30.46
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeMo2Os
_chemical_formula_sum   'Te1 Mo2 Os1'
_cell_volume   67.71
_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
  Te  Te3  1  0.0  0.0  0.46  1.0
  Mo  Mo0  1  0.1  0.0  0.06  1.0
  Mo  Mo1  1  0.0  0.0  0.17  1.0
  Os  Os2  1  0.1  0.0  0.8  1.0

data_TeMo2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.21
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   105.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeMo2Os
_chemical_formula_sum   'Te1 Mo2 Os1'
_cell_volume   67.71
_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
  Te  Te0  1  0.54  0.0  0.54  1.0
  Mo  Mo1  1  0.83  0.0  0.83  1.0
  Mo  Mo2  1  0.94  0.1  0.94  1.0
  Os  Os3  1  0.2  0.1  0.2  1.0

Te Mo Mo Os
Te Mo Mo Os 0 2 o o o 1 2 o o o 1 3 o o - 