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 [Cm]
_cell_length_a [8.2300]
_cell_length_b [4.1749]
_cell_length_c [5.3393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaBeMo]
_chemical_formula_sum '[Ta4 Be4 Mo4]'
_cell_volume [172.2932]
_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  2  0.0779  0.5000  0.4021  1
  Ta  Ta1  2  0.3248  0.5000  0.9978  1
  Be  Be2  2  0.1491  0.0000  0.7377  1
  Be  Be3  2  0.3962  0.5000  0.5032  1
  Mo  Mo4  2  0.2199  0.0000  0.2295  1
  Mo  Mo5  2  0.4623  0.0000  0.8141  1
]