data_TeMo2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   5.42
_cell_angle_alpha   104.05
_cell_angle_beta   104.05
_cell_angle_gamma   40.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeMo2Se
_chemical_formula_sum   'Te1 Mo2 Se1'
_cell_volume   75.79
_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  0.28  0.0  0.15  1.0
  Mo  Mo0  1  0.36  0.0  0.22  1.0
  Mo  Mo1  1  0.21  0.0  0.29  1.0
  Se  Se2  1  0.66  0.0  0.42  1.0

data_TeMo2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.7
_cell_length_c   5.42
_cell_angle_alpha   104.05
_cell_angle_beta   90.0
_cell_angle_gamma   110.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeMo2Se
_chemical_formula_sum   'Te1 Mo2 Se1'
_cell_volume   75.79
_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  0.0  0.72  0.85  1.0
  Mo  Mo1  1  0.0  0.64  0.78  1.0
  Mo  Mo2  1  0.0  0.79  0.71  1.0
  Se  Se3  1  0.0  0.34  0.58  1.0

Te Mo Mo Se
Te Mo Mo Se 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o o 