data_ZrInGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   5.89
_cell_length_c   3.46
_cell_angle_alpha   76.1
_cell_angle_beta   70.29
_cell_angle_gamma   33.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInGe
_chemical_formula_sum   'Zr1 In1 Ge1'
_cell_volume   64.33
_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
  Zr  Zr2  1  0.21  0.66  0.79  1.0
  In  In1  1  0.21  0.66  0.19  1.0
  Ge  Ge0  1  0.21  0.66  0.85  1.0

data_ZrInGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   10.91
_cell_length_c   3.46
_cell_angle_alpha   90.0
_cell_angle_beta   129.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrInGe
_chemical_formula_sum   'Zr2 In2 Ge2'
_cell_volume   128.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.16  0.5  1.0  1.0
  In  In1  2  0.16  0.5  0.6  1.0
  Ge  Ge2  2  0.16  0.5  0.94  1.0

Zr In Ge