data_YCrGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   139.52
_cell_angle_beta   136.11
_cell_angle_gamma   61.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCrGe2
_chemical_formula_sum   'Y1 Cr1 Ge2'
_cell_volume   77.0
_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  0.08  0.07  1.0
  Cr  Cr0  1  0.0  0.0  0.46  1.0
  Ge  Ge1  1  0.0  0.08  0.56  1.0
  Ge  Ge2  1  0.0  0.0  0.29  1.0

data_YCrGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   4.17
_cell_length_c   5.57
_cell_angle_alpha   111.95
_cell_angle_beta   110.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCrGe2
_chemical_formula_sum   'Y1 Cr1 Ge2'
_cell_volume   77.0
_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  0.93  0.01  0.01  1.0
  Cr  Cr1  1  0.54  0.54  0.54  1.0
  Ge  Ge2  1  0.44  0.52  0.52  1.0
  Ge  Ge3  1  0.71  0.71  0.71  1.0

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