data_Te2OsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   6.8
_cell_angle_alpha   153.19
_cell_angle_beta   136.51
_cell_angle_gamma   51.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2OsSe
_chemical_formula_sum   'Te2 Os1 Se1'
_cell_volume   97.38
_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  Te2  1  0.58  0.0  0.2  1.0
  Te  Te3  1  0.0  0.0  0.26  1.0
  Os  Os0  1  0.58  0.0  0.89  1.0
  Se  Se1  1  0.0  0.0  0.02  1.0

data_Te2OsSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.04
_cell_length_c   6.8
_cell_angle_alpha   111.75
_cell_angle_beta   103.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2OsSe
_chemical_formula_sum   'Te2 Os1 Se1'
_cell_volume   97.38
_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  0.38  0.8  0.38  1.0
  Te  Te1  1  0.74  0.74  0.74  1.0
  Os  Os2  1  0.69  0.11  0.69  1.0
  Se  Se3  1  0.98  0.98  0.98  1.0

Te Te Os Se