data_[Te1As2Os1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.1746]
_cell_length_b [4.1776]
_cell_length_c [5.4406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TeAs2Os]
_chemical_formula_sum '[Te1 As2 Os1]'
_cell_volume [94.8556]
_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  0.3639  0.5000  0.7154  1
  As  As1  1  0.0154  0.0000  0.1720  1
  As  As2  1  0.6256  0.5000  0.1852  1
  Os  Os3  1  0.4951  0.0000  0.4274  1
]