data_La5Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.59
_cell_length_b   9.59
_cell_length_c   9.59
_cell_angle_alpha   92.54
_cell_angle_beta   92.54
_cell_angle_gamma   155.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Se4
_chemical_formula_sum   'La5 Se4'
_cell_volume   355.53
_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  0.0  0.0  1.0
  La  La1  1  0.89  0.11  0.02  1.0
  La  La2  1  0.11  0.89  0.02  1.0
  La  La3  1  0.52  0.52  0.0  1.0
  La  La4  1  0.11  0.11  0.02  1.0
  Se  Se5  1  0.0  0.2  0.0  1.0
  Se  Se6  1  0.0  0.06  0.0  1.0
  Se  Se7  1  0.06  0.0  0.0  1.0
  Se  Se8  1  0.2  0.0  0.0  1.0

data_La5Se4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.04
_cell_length_b   18.76
_cell_length_c   9.59
_cell_angle_alpha   90.0
_cell_angle_beta   102.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La5Se4
_chemical_formula_sum   'La10 Se8'
_cell_volume   711.06
_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
  La  La0  4  0.02  0.11  0.02  1.0
  La  La1  2  0.0  0.0  0.0  1.0
  La  La2  2  0.41  0.5  0.02  1.0
  La  La3  2  0.48  0.0  0.0  1.0
  Se  Se4  4  0.4  0.4  -0.0  1.0
  Se  Se5  4  0.47  0.47  -0.0  1.0

La La La La La Se Se Se Se