data_CuGe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   2.88
_cell_angle_alpha   100.92
_cell_angle_beta   100.92
_cell_angle_gamma   116.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGe2P
_chemical_formula_sum   'Cu1 Ge2 P1'
_cell_volume   65.11
_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  0.74  0.0  0.0  1.0
  Ge  Ge1  1  0.85  0.79  0.35  1.0
  Ge  Ge2  1  0.85  0.21  0.35  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_CuGe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   116.3
_cell_angle_beta   100.92
_cell_angle_gamma   100.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGe2P
_chemical_formula_sum   'Cu1 Ge2 P1'
_cell_volume   65.11
_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  0.74  0.0  1.0
  Ge  Ge1  1  0.35  0.85  0.21  1.0
  Ge  Ge2  1  0.35  0.85  0.79  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Cu Ge Ge P