data_ZrInGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.81
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   91.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInGe2
_chemical_formula_sum   'Zr1 In1 Ge2'
_cell_volume   82.1
_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  Zr3  1  0.0  0.0  0.0  1.0
  In  In2  1  0.44  0.0  0.86  1.0
  Ge  Ge0  1  0.48  0.4  0.39  1.0
  Ge  Ge1  1  0.4  0.4  0.32  1.0

data_ZrInGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.81
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   91.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInGe2
_chemical_formula_sum   'Zr1 In1 Ge2'
_cell_volume   82.1
_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  Zr0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.44  0.0  0.86  1.0
  Ge  Ge2  1  0.4  0.4  0.32  1.0
  Ge  Ge3  1  0.48  0.4  0.39  1.0

Zr In Ge Ge