data_La2TaAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   134.6
_cell_angle_beta   134.6
_cell_angle_gamma   66.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaAs
_chemical_formula_sum   'La2 Ta1 As1'
_cell_volume   99.21
_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  0.25  0.0  0.44  1.0
  La  La2  1  0.0  0.0  0.89  1.0
  Ta  Ta3  1  0.0  0.25  0.44  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_La2TaAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   5.84
_cell_angle_alpha   112.7
_cell_angle_beta   112.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaAs
_chemical_formula_sum   'La2 Ta1 As1'
_cell_volume   99.21
_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  0.44  0.19  0.19  1.0
  La  La1  1  0.89  0.89  0.89  1.0
  Ta  Ta2  1  0.19  0.44  0.19  1.0
  As  As3  1  0.0  0.0  0.0  1.0

La La Ta As