data_[Te1P3Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3220]
_cell_length_b [3.1217]
_cell_length_c [6.1182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TeP3Os2]
_chemical_formula_sum '[Te1 P3 Os2]'
_cell_volume [101.5642]
_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
[
  Te  Te0  1  0.8341  0.0000  0.3676  1
  P  P1  1  0.1941  0.0000  0.6484  1
  P  P2  1  0.3297  0.5000  0.1221  1
  P  P3  1  0.6637  0.5000  0.8710  1
  Os  Os4  1  0.0077  0.0000  0.9789  1
  Os  Os5  1  0.4706  0.5000  0.5119  1
]