data_LaTe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44
_cell_length_b   7.44
_cell_length_c   7.44
_cell_angle_alpha   35.09
_cell_angle_beta   35.09
_cell_angle_gamma   35.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTe2Au
_chemical_formula_sum   'La1 Te2 Au1'
_cell_volume   121.45
_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  La1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.08  1.0
  Te  Te3  1  0.0  0.0  0.84  1.0
  Au  Au0  1  0.0  0.0  0.46  1.0

data_LaTe2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.77
_cell_length_b   4.48
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   110.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTe2Au
_chemical_formula_sum   'La2 Te4 Au2'
_cell_volume   242.89
_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  0.0  0.0  0.0  1.0
  Te  Te1  2  0.0  0.0  0.16  1.0
  Te  Te2  2  0.0  0.0  0.92  1.0
  Au  Au3  2  0.0  0.0  0.54  1.0

La Te Te Au
La Te Te Au 0 1 o o o 0 2 o o - 1 3 o o o 2 3 o o o 