data_Bi2TeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26
_cell_length_b   7.26
_cell_length_c   4.66
_cell_angle_alpha   107.47
_cell_angle_beta   107.47
_cell_angle_gamma   27.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2TeMo
_chemical_formula_sum   'Bi2 Te1 Mo1'
_cell_volume   107.57
_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
  Bi  Bi0  1  0.33  0.0  0.81  1.0
  Bi  Bi1  1  0.34  0.0  0.61  1.0
  Te  Te3  1  0.33  0.0  0.21  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Bi2TeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.66
_cell_length_c   7.26
_cell_angle_alpha   107.47
_cell_angle_beta   103.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2TeMo
_chemical_formula_sum   'Bi2 Te1 Mo1'
_cell_volume   107.57
_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
  Bi  Bi0  1  0.0  0.61  0.34  1.0
  Bi  Bi1  1  0.0  0.81  0.33  1.0
  Te  Te2  1  0.0  0.21  0.33  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Bi Bi Te Mo
Bi Bi Te Mo 0 1 o o o 0 2 o o + 0 3 o o + 1 2 o o o 2 3 o o o 