data_[Ta12Al2Mo10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5530]
_cell_length_b [6.4901]
_cell_length_c [13.7211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ta6AlMo5]
_chemical_formula_sum '[Ta12 Al2 Mo10]'
_cell_volume [405.4473]
_cell_formula_units_Z [2]
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  8  0.0000  0.2535  0.1686  1
  Ta  Ta1  4  0.0000  0.2408  0.5000  1
  Al  Al2  2  0.0000  0.0000  0.0000  1
  Mo  Mo3  4  0.0000  0.0000  0.3314  1
  Mo  Mo4  4  0.0000  0.5000  0.3401  1
  Mo  Mo5  2  0.0000  0.5000  0.0000  1
]