data_[Ta1Al2Mo1]
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 [Pm]
_cell_length_a [2.8152]
_cell_length_b [4.5185]
_cell_length_c [5.0827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TaAl2Mo]
_chemical_formula_sum '[Ta1 Al2 Mo1]'
_cell_volume [64.2264]
_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  0.7042  0.5000  0.2354  1.0
  Al  Al1  1  0.1126  0.0000  0.0144  1.0
  Al  Al2  1  0.1481  0.5000  0.7323  1.0
  Mo  Mo3  1  0.5351  0.0000  0.5179  1.0
]