data_TaAs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   139.25
_cell_angle_beta   139.25
_cell_angle_gamma   58.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAs2Pd
_chemical_formula_sum   'Ta1 As2 Pd1'
_cell_volume   67.13
_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  0.0  0.89  0.36  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.89  0.0  0.36  1.0
  Pd  Pd2  1  0.0  0.0  0.72  1.0

data_TaAs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   5.42
_cell_angle_alpha   110.37
_cell_angle_beta   110.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAs2Pd
_chemical_formula_sum   'Ta1 As2 Pd1'
_cell_volume   67.13
_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  0.36  0.47  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.36  0.47  0.47  1.0
  Pd  Pd3  1  0.72  0.72  0.72  1.0

Ta As As Pd