data_Ni2GeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.22
_cell_angle_alpha   111.83
_cell_angle_beta   111.83
_cell_angle_gamma   34.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2GeRh
_chemical_formula_sum   'Ni2 Ge1 Rh1'
_cell_volume   50.22
_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
  Ni  Ni1  1  0.19  0.0  0.98  1.0
  Ni  Ni2  1  0.29  0.0  0.91  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.74  0.0  0.94  1.0

data_Ni2GeRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.22
_cell_length_c   4.77
_cell_angle_alpha   111.83
_cell_angle_beta   107.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2GeRh
_chemical_formula_sum   'Ni2 Ge1 Rh1'
_cell_volume   50.22
_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
  Ni  Ni0  1  0.0  0.91  0.29  1.0
  Ni  Ni1  1  0.0  0.98  0.19  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.94  0.74  1.0

Ni Ni Ge Rh
Ni Ni Ge Rh 0 1 o o o 0 2 o o + 2 3 - o - 