data_LaAs2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   6.9
_cell_angle_alpha   109.06
_cell_angle_beta   109.06
_cell_angle_gamma   52.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAs2W
_chemical_formula_sum   'La1 As2 W1'
_cell_volume   88.83
_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  La2  1  0.36  0.0  0.2  1.0
  As  As0  1  0.89  0.0  0.13  1.0
  As  As1  1  0.13  0.0  0.13  1.0
  W  W3  1  0.12  0.0  0.18  1.0

data_LaAs2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.18
_cell_length_c   6.8
_cell_angle_alpha   73.54
_cell_angle_beta   74.3
_cell_angle_gamma   63.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAs2W
_chemical_formula_sum   'La1 As2 W1'
_cell_volume   88.83
_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  0.15  0.2  1.0
  As  As1  1  0.0  0.0  0.13  1.0
  As  As2  1  0.0  0.76  0.13  1.0
  W  W3  1  0.0  0.94  0.18  1.0

La As As W
La As As W 0 2 o o o 0 3 o o o 1 2 + o o 1 3 + o o 2 3 o o o 