data_Ba2TeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.13
_cell_length_b   9.13
_cell_length_c   9.13
_cell_angle_alpha   30.39
_cell_angle_beta   30.39
_cell_angle_gamma   30.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TeMo
_chemical_formula_sum   'Ba2 Te1 Mo1'
_cell_volume   172.89
_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
  Ba  Ba0  1  0.0  0.0  0.45  1.0
  Ba  Ba1  1  0.0  0.0  0.67  1.0
  Te  Te3  1  0.0  0.0  0.06  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Ba2TeMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.29
_cell_length_b   4.79
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   107.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2TeMo
_chemical_formula_sum   'Ba4 Te2 Mo2'
_cell_volume   345.78
_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
  Ba  Ba0  2  -0.0  0.0  0.55  1.0
  Ba  Ba1  2  0.0  0.0  0.33  1.0
  Te  Te2  2  0.0  0.0  0.94  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

Ba Ba Te Mo