data_[Ta1Be1Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Be  1.5700  1.0500  0.5900
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7330]
_cell_length_b [4.3839]
_cell_length_c [5.1626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TaBeMo2]
_chemical_formula_sum '[Ta1 Be1 Mo2]'
_cell_volume [60.9543]
_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  0.5056  0.0000  0.5105  1
  Be  Be1  1  0.1878  0.5000  0.7479  1
  Mo  Mo2  1  0.0245  0.0000  0.0048  1
  Mo  Mo3  1  0.7821  0.5000  0.2368  1
]