data_LaBe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBe2As
_chemical_formula_sum   'La1 Be2 As1'
_cell_volume   80.01
_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  La3  1  0.0  0.0  0.63  1.0
  Be  Be1  1  1.0  0.0  0.7  1.0
  Be  Be2  1  1.0  0.0  0.55  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_LaBe2As
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.99
_cell_length_b   5.53
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   LaBe2As
_chemical_formula_sum   'La2 Be4 As2'
_cell_volume   160.02
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.37  1.0
  Be  Be1  2  0.0  0.0  0.3  1.0
  Be  Be2  2  0.0  0.0  0.45  1.0
  As  As3  2  0.0  0.0  0.0  1.0

La Be Be As