data_TaMoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   6.98
_cell_angle_alpha   153.64
_cell_angle_beta   143.67
_cell_angle_gamma   45.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMoCl2
_chemical_formula_sum   'Ta1 Mo1 Cl2'
_cell_volume   89.09
_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
  Ta  Ta3  1  0.0  0.0  0.44  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.59  0.0  0.42  1.0
  Cl  Cl1  1  0.0  0.17  0.01  1.0

data_TaMoCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.35
_cell_length_c   6.98
_cell_angle_alpha   108.16
_cell_angle_beta   103.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMoCl2
_chemical_formula_sum   'Ta1 Mo1 Cl2'
_cell_volume   89.09
_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
  Ta  Ta0  1  0.0  0.44  0.44  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.42  0.83  1.0
  Cl  Cl3  1  0.83  0.84  0.84  1.0

Ta Mo Cl Cl