data_YMgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   140.95
_cell_angle_beta   136.75
_cell_angle_gamma   59.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgGe2
_chemical_formula_sum   'Y1 Mg1 Ge2'
_cell_volume   83.07
_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  0.13  0.58  1.0
  Mg  Mg2  1  0.0  0.0  1.0  1.0
  Ge  Ge0  1  0.0  0.0  0.17  1.0
  Ge  Ge1  1  0.94  0.0  0.3  1.0

data_YMgGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.27
_cell_length_c   5.79
_cell_angle_alpha   111.62
_cell_angle_beta   109.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgGe2
_chemical_formula_sum   'Y1 Mg1 Ge2'
_cell_volume   83.07
_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  0.42  0.56  0.56  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.63  0.7  0.63  1.0
  Ge  Ge3  1  0.83  0.83  0.83  1.0

Y Mg Ge Ge