data_Cu2GeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   133.21
_cell_angle_beta   128.1
_cell_angle_gamma   72.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2GeP
_chemical_formula_sum   'Cu2 Ge1 P1'
_cell_volume   57.11
_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
  Cu  Cu0  1  0.0  0.04  0.9  1.0
  Cu  Cu1  1  0.85  0.0  0.86  1.0
  Ge  Ge2  1  0.0  0.0  0.77  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Cu2GeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.09
_cell_length_c   4.67
_cell_angle_alpha   115.95
_cell_angle_beta   113.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2GeP
_chemical_formula_sum   'Cu2 Ge1 P1'
_cell_volume   57.11
_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
  Cu  Cu0  1  0.0  0.86  0.01  1.0
  Cu  Cu1  1  0.96  0.86  0.86  1.0
  Ge  Ge2  1  0.0  0.77  0.77  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Cu Cu Ge P
Cu Cu Ge P 0 2 o o o 0 3 o o + 0 1 - o o 1 3 + o + 