data_[Tc2Mo2Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Mo  2.1600  1.4500  0.7750
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1096]
_cell_length_b [2.7561]
_cell_length_c [4.7932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TcMoOs2]
_chemical_formula_sum '[Tc2 Mo2 Os4]'
_cell_volume [118.5636]
_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
[
  Tc  Tc0  2  0.0029  0.5000  0.5135  1
  Mo  Mo1  2  0.2497  0.5000  0.2467  1
  Os  Os2  2  0.2532  0.0000  0.7476  1
  Os  Os3  2  0.4943  0.5000  0.9923  1
]