data_[Ta2Cd1Mo1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cd  1.6900  1.5500  1.0900
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7979]
_cell_length_b [4.6839]
_cell_length_c [5.6541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta2CdMo]
_chemical_formula_sum '[Ta2 Cd1 Mo1]'
_cell_volume [72.7250]
_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  0.0306  0.0000  0.9928  1
  Ta  Ta1  1  0.7418  0.5000  0.2325  1
  Cd  Cd2  1  0.4747  0.0000  0.5024  1
  Mo  Mo3  1  0.2529  0.5000  0.7723  1
]