data_La4As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98
_cell_length_b   7.98
_cell_length_c   7.98
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4As3
_chemical_formula_sum   'La8 As6'
_cell_volume   391.83
_cell_formula_units_Z   2
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  0.94  0.67  0.33  1.0
  La  La1  1  0.67  0.67  0.67  1.0
  La  La2  1  0.37  0.63  0.24  1.0
  La  La3  1  0.33  0.94  0.67  1.0
  La  La4  1  0.98  0.98  0.98  1.0
  La  La5  1  0.63  0.24  0.37  1.0
  La  La6  1  0.24  0.37  0.63  1.0
  La  La7  1  0.67  0.33  0.94  1.0
  As  As8  1  0.7  0.46  0.61  1.0
  As  As9  1  0.61  0.3  0.15  1.0
  As  As10  1  0.61  0.7  0.46  1.0
  As  As11  1  0.3  0.15  0.61  1.0
  As  As12  1  0.46  0.61  0.7  1.0
  As  As13  1  0.15  0.61  0.3  1.0

data_La4As3
_symmetry_space_group_name_H-M   R3
_cell_length_a   13.04
_cell_length_b   13.04
_cell_length_c   7.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   La4As3
_chemical_formula_sum   'La24 As18'
_cell_volume   1175.5
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
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  9  0.02  0.64  0.31  1.0
  La  La1  9  0.16  0.45  0.08  1.0
  La  La2  3  0.0  0.0  0.67  1.0
  La  La3  3  0.0  0.0  0.98  1.0
  As  As4  9  0.02  0.13  0.59  1.0
  As  As5  9  0.13  0.72  0.02  1.0

La La La La La La La La As As As As As As