data_CuGe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   5.03
_cell_angle_alpha   100.39
_cell_angle_beta   100.39
_cell_angle_gamma   35.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGe2P
_chemical_formula_sum   'Cu1 Ge2 P1'
_cell_volume   64.91
_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
  Cu  Cu0  1  0.05  0.0  0.47  1.0
  Ge  Ge1  1  0.65  0.0  0.27  1.0
  Ge  Ge2  1  0.46  0.0  0.67  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   2.9
_cell_length_b   4.75
_cell_length_c   5.03
_cell_angle_alpha   100.39
_cell_angle_beta   90.0
_cell_angle_gamma   107.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuGe2P
_chemical_formula_sum   'Cu1 Ge2 P1'
_cell_volume   64.91
_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
  Cu  Cu0  1  0.0  0.95  0.53  1.0
  Ge  Ge1  1  0.0  0.35  0.73  1.0
  Ge  Ge2  1  0.0  0.54  0.33  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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