data_LaAs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAs2Br
_chemical_formula_sum   'La1 As2 Br1'
_cell_volume   109.49
_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  La3  1  0.84  0.84  0.28  1.0
  As  As0  1  0.0  0.0  0.23  1.0
  As  As1  1  0.84  0.84  0.12  1.0
  Br  Br2  1  0.0  0.0  0.51  1.0

data_LaAs2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaAs2Br
_chemical_formula_sum   'La2 As4 Br2'
_cell_volume   218.98
_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  2  0.34  0.5  0.28  1.0
  As  As1  2  0.0  0.0  0.23  1.0
  As  As2  2  0.34  0.5  0.12  1.0
  Br  Br3  2  0.0  0.0  0.51  1.0

La As As Br
La As As Br 0 1 + + o 0 2 o o o 0 3 + + o 1 2 - - o 1 3 o o o 