data_Zr2AgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   128.51
_cell_angle_beta   126.43
_cell_angle_gamma   77.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AgGe
_chemical_formula_sum   'Zr2 Ag1 Ge1'
_cell_volume   77.91
_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  0.0  0.27  0.99  1.0
  Zr  Zr3  1  0.19  0.0  0.94  1.0
  Ag  Ag0  1  0.0  0.0  0.93  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0

data_Zr2AgGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.54
_cell_length_c   5.03
_cell_angle_alpha   116.78
_cell_angle_beta   115.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AgGe
_chemical_formula_sum   'Zr2 Ag1 Ge1'
_cell_volume   77.91
_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  0.94  0.75  1.0
  Zr  Zr1  1  0.73  0.72  0.72  1.0
  Ag  Ag2  1  0.0  0.93  0.93  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Zr Zr Ag Ge