data_K2CdAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.45
_cell_length_b   11.45
_cell_length_c   11.45
_cell_angle_alpha   18.89
_cell_angle_beta   18.89
_cell_angle_gamma   18.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CdAs
_chemical_formula_sum   'K2 Cd1 As1'
_cell_volume   137.48
_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  0.0  0.0  0.97  1.0
  K  K3  1  0.0  0.0  0.76  1.0
  Cd  Cd1  1  0.0  0.0  0.86  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_K2CdAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.51
_cell_length_b   3.76
_cell_length_c   11.45
_cell_angle_alpha   90.0
_cell_angle_beta   100.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2CdAs
_chemical_formula_sum   'K4 Cd2 As2'
_cell_volume   274.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.03  1.0
  K  K1  2  0.0  0.0  0.24  1.0
  Cd  Cd2  2  0.0  0.0  0.14  1.0
  As  As3  2  0.0  0.0  0.0  1.0

K K Cd As