data_KTa2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   5.43
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   91.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2As
_chemical_formula_sum   'K1 Ta2 As1'
_cell_volume   83.85
_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
  K  K1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.8  0.72  0.1  1.0
  Ta  Ta3  1  0.9  0.72  0.38  1.0
  As  As0  1  0.35  0.0  0.74  1.0

data_KTa2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   5.43
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   91.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTa2As
_chemical_formula_sum   'K1 Ta2 As1'
_cell_volume   83.85
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.8  0.72  0.1  1.0
  Ta  Ta2  1  0.9  0.72  0.38  1.0
  As  As3  1  0.35  0.0  0.74  1.0

K Ta Ta As