data_Te2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   6.36
_cell_length_c   33.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2Mo
_chemical_formula_sum   'Te4 Mo2'
_cell_volume   736.69
_cell_formula_units_Z   2
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  Te2  1  0.0  0.86  0.27  1.0
  Te  Te3  1  0.5  0.35  0.25  1.0
  Te  Te4  1  0.5  0.7  0.14  1.0
  Te  Te5  1  0.0  0.21  0.16  1.0
  Mo  Mo0  1  0.0  0.6  0.2  1.0
  Mo  Mo1  1  0.5  0.96  0.21  1.0

Te Te Te Te Mo Mo 0 5 - o o 0 5 o o o 0 4 o o o 1 4 o o o 1 4 + o o 1 1 + o o 1 5 o - o 2 4 o o o 2 4 + o o 2 5 o o o 3 5 - - o 3 5 o - o 3 3 + o o 3 4 o o o 4 5 - o o 4 5 o o o 
data_Te2Mo
_symmetry_space_group_name_H-M   P2_1/m
_cell_length_a   6.36
_cell_length_b   3.48
_cell_length_c   33.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   11
_chemical_formula_structural   Te2Mo
_chemical_formula_sum   'Te4 Mo2'
_cell_volume   736.69
_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, y+1/2, -z'
  4  'x, -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
  Te  Te0  2  0.07  0.25  0.04  1.0
  Te  Te1  2  0.42  0.25  0.94  1.0
  Mo  Mo2  2  0.32  0.75  1.0  1.0

Te Te Te Te Mo Mo