data_TaBeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.43
_cell_angle_alpha   110.56
_cell_angle_beta   110.56
_cell_angle_gamma   39.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBeMo2
_chemical_formula_sum   'Ta1 Be1 Mo2'
_cell_volume   60.37
_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  0.68  0.0  0.03  1.0
  Be  Be0  1  0.3  0.0  0.98  1.0
  Mo  Mo1  1  0.98  0.0  0.06  1.0
  Mo  Mo2  1  0.06  0.0  0.11  1.0

data_TaBeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.43
_cell_length_c   4.79
_cell_angle_alpha   110.56
_cell_angle_beta   109.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBeMo2
_chemical_formula_sum   'Ta1 Be1 Mo2'
_cell_volume   60.37
_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  0.03  0.68  1.0
  Be  Be1  1  0.0  0.98  0.3  1.0
  Mo  Mo2  1  0.0  0.06  0.98  1.0
  Mo  Mo3  1  0.0  0.11  0.06  1.0

Ta Be Mo Mo
Ta Be Mo Mo 0 2 o o o 0 1 o o - 1 3 o o + 1 2 - o + 2 3 + o o 