data_[Ta1Mo2Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7934]
_cell_length_b [4.4331]
_cell_length_c [5.2502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TaMo2Os]
_chemical_formula_sum '[Ta1 Mo2 Os1]'
_cell_volume [63.9523]
_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
[
  Ta  Ta0  1  0.2413  0.5000  0.7450  1
  Mo  Mo1  1  0.7709  0.5000  0.2430  1
  Mo  Mo2  1  0.9960  0.0000  0.0074  1
  Os  Os3  1  0.4919  0.0000  0.5046  1
]