data_YV2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.2
_cell_length_b   9.2
_cell_length_c   9.2
_cell_angle_alpha   19.01
_cell_angle_beta   19.01
_cell_angle_gamma   19.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YV2Ge
_chemical_formula_sum   'Y1 V2 Ge1'
_cell_volume   72.28
_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
  Y  Y3  1  0.0  0.0  0.55  1.0
  V  V1  1  0.0  0.0  0.06  1.0
  V  V2  1  0.0  0.0  0.04  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_YV2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   3.04
_cell_length_c   9.2
_cell_angle_alpha   90.0
_cell_angle_beta   100.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YV2Ge
_chemical_formula_sum   'Y2 V4 Ge2'
_cell_volume   144.57
_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
  Y  Y0  2  0.0  0.0  0.45  1.0
  V  V1  2  0.0  0.0  0.94  1.0
  V  V2  2  0.0  0.0  0.96  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

Y V V Ge
Y V V Ge 0 0 o + - 0 0 + - o 0 0 + o - 1 2 o o o 2 3 o o o 