data_LaAg2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   3.79
_cell_angle_alpha   104.91
_cell_angle_beta   104.91
_cell_angle_gamma   129.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAg2Br
_chemical_formula_sum   'La1 Ag2 Br1'
_cell_volume   107.63
_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  0.91  0.0  0.0  1.0
  Ag  Ag0  1  0.32  0.95  0.52  1.0
  Ag  Ag1  1  0.32  0.05  0.52  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_LaAg2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.67
_cell_length_c   6.76
_cell_angle_alpha   109.08
_cell_angle_beta   104.91
_cell_angle_gamma   93.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAg2Br
_chemical_formula_sum   'La1 Ag2 Br1'
_cell_volume   107.63
_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  0.91  1.0
  Ag  Ag1  1  0.47  0.95  0.27  1.0
  Ag  Ag2  1  0.57  0.05  0.37  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

La Ag Ag Br