data_TaSn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   38.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2Se
_chemical_formula_sum   'Ta1 Sn2 Se1'
_cell_volume   88.04
_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  Ta3  1  0.28  0.0  0.25  1.0
  Sn  Sn1  1  0.28  0.0  0.32  1.0
  Sn  Sn2  1  0.0  0.0  0.57  1.0
  Se  Se0  1  0.0  0.0  0.69  1.0

data_TaSn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.55
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   109.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2Se
_chemical_formula_sum   'Ta1 Sn2 Se1'
_cell_volume   88.04
_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  0.75  0.28  0.75  1.0
  Sn  Sn1  1  0.43  0.0  0.43  1.0
  Sn  Sn2  1  0.68  0.28  0.68  1.0
  Se  Se3  1  0.31  0.0  0.31  1.0

Ta Sn Sn Se