data_TeMoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   6.71
_cell_angle_alpha   152.39
_cell_angle_beta   152.39
_cell_angle_gamma   39.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeMoSe
_chemical_formula_sum   'Te1 Mo1 Se1'
_cell_volume   64.85
_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  Te2  1  0.0  0.0  0.66  1.0
  Mo  Mo0  1  0.0  0.0  0.1  1.0
  Se  Se1  1  0.0  0.0  0.88  1.0

data_TeMoSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   109.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TeMoSe
_chemical_formula_sum   'Te2 Mo2 Se2'
_cell_volume   129.7
_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
  Te  Te0  2  0.16  0.5  0.66  1.0
  Mo  Mo1  2  0.1  0.0  0.1  1.0
  Se  Se2  2  0.38  0.5  0.88  1.0

Te Mo Se
Te Mo Se 0 2 o o o 1 2 o o - 