data_Ta3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   145.19
_cell_angle_beta   129.43
_cell_angle_gamma   62.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Mo
_chemical_formula_sum   'Ta3 Mo1'
_cell_volume   70.17
_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  Ta1  1  0.63  0.0  0.23  1.0
  Ta  Ta2  1  0.0  0.0  0.64  1.0
  Ta  Ta3  1  0.0  0.32  0.42  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Ta3Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.65
_cell_length_c   5.44
_cell_angle_alpha   115.28
_cell_angle_beta   107.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Mo
_chemical_formula_sum   'Ta3 Mo1'
_cell_volume   70.17
_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  0.23  0.6  1.0
  Ta  Ta1  1  0.0  0.64  0.64  1.0
  Ta  Ta2  1  0.68  0.09  0.09  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Ta Ta Ta Mo