data_Ta2OsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   144.22
_cell_angle_beta   127.04
_cell_angle_gamma   65.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2OsSe
_chemical_formula_sum   'Ta2 Os1 Se1'
_cell_volume   66.29
_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  Ta2  1  0.0  0.34  0.27  1.0
  Ta  Ta3  1  0.61  0.0  0.14  1.0
  Os  Os0  1  0.0  0.0  0.41  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Ta2OsSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.67
_cell_length_c   5.24
_cell_angle_alpha   116.48
_cell_angle_beta   107.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2OsSe
_chemical_formula_sum   'Ta2 Os1 Se1'
_cell_volume   66.29
_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  0.47  0.86  0.47  1.0
  Ta  Ta1  1  0.73  0.07  0.07  1.0
  Os  Os2  1  0.59  0.59  0.59  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Ta Ta Os Se