data_La2ZnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   7.74
_cell_angle_alpha   105.24
_cell_angle_beta   105.24
_cell_angle_gamma   58.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZnSe
_chemical_formula_sum   'La2 Zn1 Se1'
_cell_volume   117.79
_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
  La  La0  1  0.12  0.0  0.43  1.0
  La  La1  1  0.09  0.0  0.94  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.6  0.0  0.69  1.0

data_La2ZnSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.32
_cell_length_c   7.74
_cell_angle_alpha   105.24
_cell_angle_beta   90.0
_cell_angle_gamma   119.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZnSe
_chemical_formula_sum   'La2 Zn1 Se1'
_cell_volume   117.79
_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
  La  La0  1  0.0  0.88  0.57  1.0
  La  La1  1  0.0  0.91  0.06  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.4  0.31  1.0

La La Zn Se