data_Ta2BMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   140.5
_cell_angle_beta   122.87
_cell_angle_gamma   71.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BMo
_chemical_formula_sum   'Ta2 B1 Mo1'
_cell_volume   59.75
_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  Ta2  1  0.64  0.0  0.72  1.0
  Ta  Ta3  1  0.0  0.32  0.21  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.93  1.0

data_Ta2BMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.64
_cell_length_c   4.85
_cell_angle_alpha   118.57
_cell_angle_beta   109.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BMo
_chemical_formula_sum   'Ta2 B1 Mo1'
_cell_volume   59.75
_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  0.79  0.1  0.1  1.0
  Ta  Ta1  1  0.92  0.28  0.92  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.07  0.07  0.07  1.0

Ta Ta B Mo