data_Cu2GeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   2.81
_cell_angle_alpha   93.18
_cell_angle_beta   93.18
_cell_angle_gamma   103.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2GeAs
_chemical_formula_sum   'Cu2 Ge1 As1'
_cell_volume   61.09
_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  Cu1  1  0.34  0.86  0.4  1.0
  Cu  Cu2  1  0.34  0.14  0.4  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.93  0.0  0.0  1.0

data_Cu2GeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   103.54
_cell_angle_beta   93.18
_cell_angle_gamma   93.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2GeAs
_chemical_formula_sum   'Cu2 Ge1 As1'
_cell_volume   61.09
_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  0.4  0.34  0.14  1.0
  Cu  Cu1  1  0.4  0.34  0.86  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.0  0.93  0.0  1.0

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