data_LaVZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   131.11
_cell_angle_beta   131.11
_cell_angle_gamma   71.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaVZn2
_chemical_formula_sum   'La1 V1 Zn2'
_cell_volume   77.98
_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  0.21  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.15  0.0  0.11  1.0
  Zn  Zn3  1  0.0  0.15  0.11  1.0

data_LaVZn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   125.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaVZn2
_chemical_formula_sum   'La2 V2 Zn4'
_cell_volume   155.96
_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  0.0  0.0  0.21  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Zn  Zn2  4  0.42  0.42  0.96  1.0

La V Zn Zn
La V Zn Zn 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o o 1 2 o o o 