data_LaTl2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2As
_chemical_formula_sum   'La1 Tl2 As1'
_cell_volume   118.02
_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  0.1  0.0  0.0  1.0
  Tl  Tl2  1  0.1  0.71  0.97  1.0
  Tl  Tl3  1  0.1  0.29  0.97  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_LaTl2As
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaTl2As
_chemical_formula_sum   'La1 Tl2 As1'
_cell_volume   118.1
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.1  0.0  -0.0  1.0
  Tl  Tl1  2  0.1  0.29  0.97  1.0
  As  As2  1  0.0  0.0  0.0  1.0

La Tl Tl As