data_[Al2Tc4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Tc  1.9000  1.3500  0.7417
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2450]
_cell_length_b [2.8728]
_cell_length_c [4.6331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlTc2Os]
_chemical_formula_sum '[Al2 Tc4 Os2]'
_cell_volume [115.8767]
_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
[
  Al  Al0  2  0.4943  0.0000  0.4439  1
  Tc  Tc1  2  0.0038  0.0000  0.9421  1
  Tc  Tc2  2  0.2547  0.0000  0.8019  1
  Os  Os3  2  0.2472  0.5000  0.3121  1
]