data_KYAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92
_cell_length_b   7.92
_cell_length_c   4.07
_cell_angle_alpha   99.98
_cell_angle_beta   99.98
_cell_angle_gamma   29.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYAs2
_chemical_formula_sum   'K1 Y1 As2'
_cell_volume   123.8
_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  K2  1  0.58  0.0  0.73  1.0
  Y  Y3  1  0.71  0.0  0.09  1.0
  As  As0  1  0.18  0.0  0.98  1.0
  As  As1  1  0.41  0.0  0.2  1.0

data_KYAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.07
_cell_length_c   7.92
_cell_angle_alpha   99.98
_cell_angle_beta   104.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYAs2
_chemical_formula_sum   'K1 Y1 As2'
_cell_volume   123.8
_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  0.73  0.58  1.0
  Y  Y1  1  0.0  0.09  0.71  1.0
  As  As2  1  0.0  0.2  0.41  1.0
  As  As3  1  0.0  0.98  0.18  1.0

K Y As As