data_TaAg2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   151.36
_cell_angle_beta   132.79
_cell_angle_gamma   56.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAg2As
_chemical_formula_sum   'Ta1 Ag2 As1'
_cell_volume   70.59
_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  0.0  0.18  1.0
  Ag  Ag0  1  0.0  0.35  0.67  1.0
  Ag  Ag1  1  0.45  0.0  0.51  1.0
  As  As2  1  0.0  0.0  0.0  1.0

data_TaAg2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.7
_cell_length_c   5.87
_cell_angle_alpha   113.61
_cell_angle_beta   104.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAg2As
_chemical_formula_sum   'Ta1 Ag2 As1'
_cell_volume   70.59
_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  0.18  0.18  1.0
  Ag  Ag1  1  0.0  0.51  0.06  1.0
  Ag  Ag2  1  0.65  0.32  0.32  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Ta Ag Ag As