data_YCrGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   5.53
_cell_angle_alpha   109.77
_cell_angle_beta   109.77
_cell_angle_gamma   53.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCrGe2
_chemical_formula_sum   'Y1 Cr1 Ge2'
_cell_volume   77.05
_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  0.8  0.0  0.56  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.34  0.0  0.25  1.0
  Ge  Ge2  1  0.25  0.0  0.87  1.0

data_YCrGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.32
_cell_length_c   5.53
_cell_angle_alpha   109.77
_cell_angle_beta   90.0
_cell_angle_gamma   116.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCrGe2
_chemical_formula_sum   'Y1 Cr1 Ge2'
_cell_volume   77.05
_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  Y0  1  0.0  0.2  0.44  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.66  0.75  1.0
  Ge  Ge3  1  0.0  0.75  0.13  1.0

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