data_[Ta4Sn4Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9501]
_cell_length_b [4.7017]
_cell_length_c [7.5338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaSnOs]
_chemical_formula_sum '[Ta4 Sn4 Os4]'
_cell_volume [241.6372]
_cell_formula_units_Z [4]
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  4  0.0957  0.0000  0.8566  1.0
  Sn  Sn1  4  0.1673  0.5000  0.3417  1.0
  Os  Os2  4  0.2138  0.5000  0.7564  1.0
]