data_LaBeAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   121.34
_cell_angle_beta   121.34
_cell_angle_gamma   87.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeAg2
_chemical_formula_sum   'La1 Be1 Ag2'
_cell_volume   86.56
_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  0.61  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.45  0.8  1.0
  Ag  Ag1  1  0.45  0.0  0.8  1.0

data_LaBeAg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.93
_cell_length_b   6.93
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   133.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaBeAg2
_chemical_formula_sum   'La2 Be2 Ag4'
_cell_volume   173.12
_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  0.39  0.0  0.39  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Ag  Ag2  4  0.42  0.22  0.65  1.0

La Be Ag Ag
La Be Ag Ag 0 2 o o o 0 3 o o o 0 1 o o + 1 3 - o - 1 2 o - - 