data_Y2CrGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   40.39
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CrGe
_chemical_formula_sum   'Y2 Cr1 Ge1'
_cell_volume   94.7
_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  Y2  1  0.0  0.0  0.89  1.0
  Y  Y3  1  0.09  0.0  0.72  1.0
  Cr  Cr0  1  0.0  0.0  0.99  1.0
  Ge  Ge1  1  0.09  0.0  0.52  1.0

data_Y2CrGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.19
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   110.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CrGe
_chemical_formula_sum   'Y2 Cr1 Ge1'
_cell_volume   94.7
_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  0.11  0.0  0.11  1.0
  Y  Y1  1  0.28  0.09  0.28  1.0
  Cr  Cr2  1  0.01  0.0  0.01  1.0
  Ge  Ge3  1  0.48  0.09  0.48  1.0

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