data_NaLa2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   137.11
_cell_angle_beta   137.11
_cell_angle_gamma   62.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2As
_chemical_formula_sum   'Na1 La2 As1'
_cell_volume   110.81
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  La  La1  1  0.0  0.0  0.34  1.0
  La  La2  1  0.0  0.28  0.67  1.0
  As  As0  1  0.28  0.0  0.67  1.0

data_NaLa2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   6.23
_cell_angle_alpha   111.44
_cell_angle_beta   111.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2As
_chemical_formula_sum   'Na1 La2 As1'
_cell_volume   110.81
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.61  0.28  0.61  1.0
  La  La2  1  0.66  0.0  0.66  1.0
  As  As3  1  0.33  0.0  0.61  1.0

Na La La As
Na La La As 0 1 o o o 1 2 o o o 1 3 o o o 