data_K2LaSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   11.78
_cell_angle_alpha   98.95
_cell_angle_beta   98.95
_cell_angle_gamma   60.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LaSe
_chemical_formula_sum   'K2 La1 Se1'
_cell_volume   189.47
_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  0.25  0.0  0.56  1.0
  K  K1  1  0.22  0.0  0.17  1.0
  La  La2  1  0.77  0.0  0.8  1.0
  Se  Se3  1  0.26  0.0  0.44  1.0

data_K2LaSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   11.78
_cell_angle_alpha   81.05
_cell_angle_beta   81.05
_cell_angle_gamma   60.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LaSe
_chemical_formula_sum   'K2 La1 Se1'
_cell_volume   189.47
_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  0.75  0.0  0.56  1.0
  K  K1  1  0.78  0.0  0.17  1.0
  La  La2  1  0.23  0.0  0.8  1.0
  Se  Se3  1  0.74  0.0  0.44  1.0

K K La Se