data_LaY2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2As
_chemical_formula_sum   'La1 Y2 As1'
_cell_volume   115.03
_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  0.66  0.0  0.32  1.0
  Y  Y2  1  0.0  0.0  0.76  1.0
  Y  Y3  1  0.66  0.0  0.51  1.0
  As  As0  1  0.0  0.0  0.24  1.0

data_LaY2As
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaY2As
_chemical_formula_sum   'La1 Y2 As1'
_cell_volume   115.07
_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  0.66  0.0  0.32  1.0
  Y  Y1  1  0.0  0.0  0.76  1.0
  Y  Y2  1  0.66  0.0  0.51  1.0
  As  As3  1  0.0  0.0  0.24  1.0

La Y Y As
La Y Y As 0 3 + o o 0 2 o o o 1 2 - o o 
LaY2As crystallizes in the monoclinic Pm space group. La(1) is bonded in a 3-coordinate geometry to one Y(2) and two equivalent As(1) atoms. The La(1)-Y(2) bond length is 1.57 Å. There is one shorter (1.44 Å) and one longer (2.57 Å) La(1)-As(1) bond length. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to two equivalent Y(2), four equivalent Y(1), and one As(1) atom. There is one shorter (2.38 Å) and one longer (3.19 Å) Y(1)-Y(2) bond length. All Y(1)-Y(1) bond lengths are 3.81 Å. The Y(1)-As(1) bond length is 3.79 Å. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to one La(1) and two equivalent Y(1) atoms. As(1) is bonded in a distorted single-bond geometry to two equivalent La(1) and one Y(1) atom.