data_[Ta4Be4Mo4]
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 [C2/m]
_cell_length_a [9.3318]
_cell_length_b [3.2993]
_cell_length_c [6.5051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaBeMo]
_chemical_formula_sum '[Ta4 Be4 Mo4]'
_cell_volume [168.3558]
_cell_formula_units_Z [4]
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  4  0.0869  0.0000  0.8297  1.0
  Be  Be1  4  0.1205  0.5000  0.1492  1.0
  Mo  Mo2  4  0.1832  0.5000  0.5802  1.0
]