data_TaIn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   96.0
_cell_angle_beta   96.0
_cell_angle_gamma   32.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn2Mo
_chemical_formula_sum   'Ta1 In2 Mo1'
_cell_volume   76.87
_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  0.44  0.0  0.35  1.0
  In  In0  1  0.02  0.0  0.02  1.0
  In  In1  1  0.05  0.0  0.89  1.0
  Mo  Mo2  1  0.78  0.0  0.57  1.0

data_TaIn2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   96.0
_cell_angle_beta   106.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn2Mo
_chemical_formula_sum   'Ta1 In2 Mo1'
_cell_volume   76.87
_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  0.35  0.44  1.0
  In  In1  1  0.0  0.02  0.02  1.0
  In  In2  1  0.0  0.89  0.05  1.0
  Mo  Mo3  1  0.0  0.57  0.78  1.0

Ta In In Mo