data_KAg2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   6.39
_cell_angle_alpha   110.6
_cell_angle_beta   110.6
_cell_angle_gamma   60.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAg2As
_chemical_formula_sum   'K1 Ag2 As1'
_cell_volume   111.49
_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  K3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.06  0.0  0.35  1.0
  Ag  Ag1  1  0.46  0.0  0.49  1.0
  As  As2  1  0.76  0.0  0.92  1.0

data_KAg2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   6.39
_cell_angle_alpha   69.4
_cell_angle_beta   69.4
_cell_angle_gamma   60.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAg2As
_chemical_formula_sum   'K1 Ag2 As1'
_cell_volume   111.49
_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
  Ag  Ag1  1  0.54  0.0  0.49  1.0
  Ag  Ag2  1  0.94  0.0  0.35  1.0
  As  As3  1  0.24  0.0  0.92  1.0

K Ag Ag As