data_Na2LaAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   6.9
_cell_angle_alpha   143.2
_cell_angle_beta   143.2
_cell_angle_gamma   53.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaAs
_chemical_formula_sum   'Na2 La1 As1'
_cell_volume   117.24
_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  Na2  1  0.0  0.18  0.09  1.0
  Na  Na3  1  0.18  0.0  0.09  1.0
  La  La1  1  0.0  0.0  0.18  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Na2LaAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   116.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2LaAs
_chemical_formula_sum   'Na4 La2 As2'
_cell_volume   234.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.5  0.41  0.91  1.0
  La  La1  2  0.18  0.0  0.18  1.0
  As  As2  2  0.0  0.0  0.0  1.0

Na Na La As