data_[Th6Mg6Os6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Mg  1.3100  1.5000  0.8600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3829]
_cell_length_b [4.1027]
_cell_length_c [12.9102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ThMgOs]
_chemical_formula_sum '[Th6 Mg6 Os6]'
_cell_volume [391.0411]
_cell_formula_units_Z [6]
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
[
  Th  Th0  2  0.0463  0.2500  0.2857  1
  Th  Th1  2  0.3404  0.7500  0.9173  1
  Th  Th2  2  0.4587  0.7500  0.6239  1
  Mg  Mg3  2  0.0080  0.7500  0.0830  1
  Mg  Mg4  2  0.1331  0.2500  0.5371  1
  Mg  Mg5  2  0.3724  0.7500  0.1981  1
  Os  Os6  2  0.2422  0.2500  0.7487  1
  Os  Os7  2  0.2581  0.7500  0.4080  1
  Os  Os8  2  0.2601  0.2500  0.0736  1
]