data_Co2GeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   4.22
_cell_angle_alpha   121.54
_cell_angle_beta   121.54
_cell_angle_gamma   87.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2GeAs
_chemical_formula_sum   'Co2 Ge1 As1'
_cell_volume   51.85
_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
  Co  Co1  1  0.0  0.06  0.53  1.0
  Co  Co2  1  0.06  0.0  0.53  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.05  1.0

data_Co2GeAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   4.22
_cell_angle_alpha   90.0
_cell_angle_beta   133.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co2GeAs
_chemical_formula_sum   'Co4 Ge2 As2'
_cell_volume   103.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Co  Co0  4  0.47  0.47  0.47  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  As  As2  2  0.0  0.0  0.05  1.0

Co Co Ge As
Co Co Ge As 0 1 o o o 2 3 o o o 