data_CrCuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   143.95
_cell_angle_beta   143.95
_cell_angle_gamma   51.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuGe
_chemical_formula_sum   'Cr1 Cu1 Ge1'
_cell_volume   42.0
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.94  1.0
  Ge  Ge2  1  0.0  0.0  0.97  1.0

data_CrCuGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   115.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrCuGe
_chemical_formula_sum   'Cr2 Cu2 Ge2'
_cell_volume   84.0
_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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Cu  Cu1  2  0.44  0.5  0.94  1.0
  Ge  Ge2  2  0.47  0.5  0.97  1.0

Cr Cu Ge
Cr Cu Ge 0 2 o o - 1 2 o o o 