data_TaSnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   3.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSnAs2
_chemical_formula_sum   'Ta1 Sn1 As2'
_cell_volume   76.85
_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  0.38  0.38  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.38  0.0  0.7  1.0
  As  As1  1  0.0  0.38  0.7  1.0

data_TaSnAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   3.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaSnAs2
_chemical_formula_sum   'Ta2 Sn2 As4'
_cell_volume   153.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.38  0.0  0.0  1.0
  Sn  Sn1  2  0.0  0.0  0.0  1.0
  As  As2  4  0.19  0.19  0.7  1.0

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