data_[Ta12Tc2Mo6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Tc  1.9000  1.3500  0.7417
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9308]
_cell_length_b [4.5794]
_cell_length_c [9.7106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ta6TcMo3]
_chemical_formula_sum '[Ta12 Tc2 Mo6]'
_cell_volume [339.7056]
_cell_formula_units_Z [2]
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  0.0540  0.7500  0.8966  1
  Ta  Ta1  2  0.1509  0.7500  0.2003  1
  Ta  Ta2  2  0.1513  0.2500  0.6957  1
  Ta  Ta3  2  0.2471  0.7500  0.5029  1
  Ta  Ta4  2  0.3545  0.2500  0.3043  1
  Ta  Ta5  2  0.4554  0.7500  0.1005  1
  Tc  Tc6  2  0.0504  0.2500  0.4006  1
  Mo  Mo7  2  0.2465  0.2500  0.0005  1
  Mo  Mo8  2  0.3496  0.7500  0.7997  1
  Mo  Mo9  2  0.4517  0.2500  0.6011  1
]