data_Y2CrGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   138.08
_cell_angle_beta   138.08
_cell_angle_gamma   60.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CrGe
_chemical_formula_sum   'Y2 Cr1 Ge1'
_cell_volume   92.7
_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  0.13  1.0
  Y  Y3  1  0.0  0.13  0.56  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.13  0.0  0.56  1.0

data_Y2CrGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   5.94
_cell_angle_alpha   110.96
_cell_angle_beta   110.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CrGe
_chemical_formula_sum   'Y2 Cr1 Ge1'
_cell_volume   92.7
_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  0.56  0.13  0.56  1.0
  Y  Y1  1  0.87  0.0  0.87  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.44  0.0  0.56  1.0

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