data_TaZn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   2.91
_cell_angle_alpha   96.36
_cell_angle_beta   96.36
_cell_angle_gamma   120.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZn2As
_chemical_formula_sum   'Ta1 Zn2 As1'
_cell_volume   66.44
_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  Ta1  1  0.59  0.0  0.0  1.0
  Zn  Zn2  1  0.97  0.75  0.42  1.0
  Zn  Zn3  1  0.97  0.25  0.42  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_TaZn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.19
_cell_length_c   5.2
_cell_angle_alpha   60.09
_cell_angle_beta   83.64
_cell_angle_gamma   77.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZn2As
_chemical_formula_sum   'Ta1 Zn2 As1'
_cell_volume   66.44
_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  0.0  0.59  1.0
  Zn  Zn1  1  0.58  0.75  0.23  1.0
  Zn  Zn2  1  0.58  0.25  0.72  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Ta Zn Zn As