data_KLaAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   138.09
_cell_angle_beta   138.09
_cell_angle_gamma   60.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaAs2
_chemical_formula_sum   'K1 La1 As2'
_cell_volume   106.99
_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  0.0  1.0
  La  La3  1  0.23  0.0  0.69  1.0
  As  As0  1  0.0  0.0  0.38  1.0
  As  As1  1  0.0  0.23  0.69  1.0

data_KLaAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   6.24
_cell_angle_alpha   110.95
_cell_angle_beta   110.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaAs2
_chemical_formula_sum   'K1 La1 As2'
_cell_volume   106.99
_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
  La  La1  1  0.69  0.46  0.46  1.0
  As  As2  1  0.38  0.38  0.38  1.0
  As  As3  1  0.46  0.69  0.46  1.0

K La As As