data_TaSn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.09
_cell_angle_alpha   104.51
_cell_angle_beta   104.51
_cell_angle_gamma   33.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2As
_chemical_formula_sum   'Ta1 Sn2 As1'
_cell_volume   88.49
_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  0.49  0.0  0.63  1.0
  Sn  Sn1  1  0.06  0.0  0.21  1.0
  Sn  Sn2  1  0.51  0.0  0.29  1.0
  As  As0  1  0.47  0.0  0.24  1.0

data_TaSn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.09
_cell_length_c   5.75
_cell_angle_alpha   104.51
_cell_angle_beta   106.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2As
_chemical_formula_sum   'Ta1 Sn2 As1'
_cell_volume   88.49
_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  0.0  0.63  0.49  1.0
  Sn  Sn1  1  0.0  0.21  0.06  1.0
  Sn  Sn2  1  0.0  0.29  0.51  1.0
  As  As3  1  0.0  0.24  0.47  1.0

Ta Sn Sn As
Ta Sn Sn As 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 