data_Ni2GeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   4.64
_cell_angle_alpha   102.38
_cell_angle_beta   102.38
_cell_angle_gamma   44.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2GeP
_chemical_formula_sum   'Ni2 Ge1 P1'
_cell_volume   54.74
_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  0.97  0.0  0.48  1.0
  Ni  Ni2  1  0.04  0.0  0.9  1.0
  Ge  Ge0  1  0.53  0.0  0.95  1.0
  P  P3  1  0.26  0.0  0.96  1.0

data_Ni2GeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.14
_cell_length_c   4.64
_cell_angle_alpha   102.38
_cell_angle_beta   90.0
_cell_angle_gamma   112.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2GeP
_chemical_formula_sum   'Ni2 Ge1 P1'
_cell_volume   54.74
_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  0.03  0.52  1.0
  Ni  Ni1  1  0.0  0.96  0.1  1.0
  Ge  Ge2  1  0.0  0.47  0.05  1.0
  P  P3  1  0.0  0.74  0.04  1.0

Ni Ni Ge P