data_[Tc5Os2W1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Os  2.2000  1.3000  0.6730
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7912]
_cell_length_b [5.2221]
_cell_length_c [5.5318]
_cell_angle_alpha [105.3203]
_cell_angle_beta [90.0100]
_cell_angle_gamma [117.2794]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tc5Os2W]
_chemical_formula_sum '[Tc5 Os2 W1]'
_cell_volume [117.4473]
_cell_formula_units_Z [1]
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  1  0.3326  0.0001  0.0912  1
  Tc  Tc1  1  0.3351  0.0067  0.5914  1
  Tc  Tc2  1  0.8341  0.9965  0.3393  1
  Tc  Tc3  1  0.9185  0.5001  0.7153  1
  Tc  Tc4  1  0.9204  0.5104  0.2187  1
  Os  Os5  1  0.4132  0.4951  0.4619  1
  Os  Os6  1  0.4164  0.4987  0.9665  1
  W  W7  1  0.8297  0.9923  0.8387  1
]