data_YMgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   4.4
_cell_angle_alpha   110.06
_cell_angle_beta   110.06
_cell_angle_gamma   39.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgGe2
_chemical_formula_sum   'Y1 Mg1 Ge2'
_cell_volume   83.56
_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  0.61  0.0  0.86  1.0
  Mg  Mg2  1  0.57  0.0  0.23  1.0
  Ge  Ge0  1  0.57  0.0  0.13  1.0
  Ge  Ge1  1  0.62  0.0  0.92  1.0

data_YMgGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.4
_cell_length_c   5.68
_cell_angle_alpha   110.06
_cell_angle_beta   109.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgGe2
_chemical_formula_sum   'Y1 Mg1 Ge2'
_cell_volume   83.56
_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  0.86  0.61  1.0
  Mg  Mg1  1  0.0  0.23  0.57  1.0
  Ge  Ge2  1  0.0  0.13  0.57  1.0
  Ge  Ge3  1  0.0  0.92  0.62  1.0

Y Mg Ge Ge