data_LaV2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   2.84
_cell_angle_alpha   101.11
_cell_angle_beta   101.11
_cell_angle_gamma   117.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaV2Ag
_chemical_formula_sum   'La1 V2 Ag1'
_cell_volume   74.97
_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  0.93  0.0  0.0  1.0
  V  V2  1  0.93  0.57  0.32  1.0
  V  V3  1  0.93  0.43  0.32  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_LaV2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   5.47
_cell_length_c   5.67
_cell_angle_alpha   116.88
_cell_angle_beta   101.11
_cell_angle_gamma   96.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaV2Ag
_chemical_formula_sum   'La1 V2 Ag1'
_cell_volume   74.97
_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  0.0  0.93  1.0
  V  V1  1  0.75  0.43  0.36  1.0
  V  V2  1  0.89  0.57  0.5  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

La V V Ag
La V V Ag 0 3 + o o 1 2 o o o 