data_LaTl2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   141.25
_cell_angle_beta   141.25
_cell_angle_gamma   55.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2As
_chemical_formula_sum   'La1 Tl2 As1'
_cell_volume   113.13
_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  0.85  1.0
  Tl  Tl2  1  0.0  0.2  0.93  1.0
  Tl  Tl3  1  0.2  0.0  0.93  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_LaTl2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   117.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTl2As
_chemical_formula_sum   'La2 Tl4 As2'
_cell_volume   226.27
_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  0.15  1.0
  Tl  Tl1  4  0.1  0.1  0.27  1.0
  As  As2  2  0.0  0.0  0.0  1.0

La Tl Tl As