data_La2ZnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   138.29
_cell_angle_beta   138.29
_cell_angle_gamma   60.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZnAs
_chemical_formula_sum   'La2 Zn1 As1'
_cell_volume   104.42
_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  La1  1  0.0  0.0  0.36  1.0
  La  La2  1  0.0  0.21  0.68  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.21  0.0  0.68  1.0

data_La2ZnAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   6.2
_cell_angle_alpha   110.85
_cell_angle_beta   110.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ZnAs
_chemical_formula_sum   'La2 Zn1 As1'
_cell_volume   104.42
_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  0.36  0.36  0.36  1.0
  La  La1  1  0.47  0.68  0.47  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.68  0.47  0.47  1.0

La La Zn As
La La Zn As 0 1 o o o 0 3 o o o 0 2 o o o 1 3 o o o 