data_Cr2CuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58
_cell_length_b   4.0
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   100.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuGe
_chemical_formula_sum   'Cr2 Cu1 Ge1'
_cell_volume   50.21
_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  0.53  0.0  0.59  1.0
  Cr  Cr1  1  0.13  0.0  0.27  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.54  0.0  0.43  1.0

data_Cr2CuGe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.58
_cell_length_b   4.0
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   100.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cr2CuGe
_chemical_formula_sum   'Cr2 Cu1 Ge1'
_cell_volume   50.21
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.13  0.0  0.27  1.0
  Cr  Cr1  1  0.53  0.0  0.59  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.54  0.0  0.43  1.0

Cr Cr Cu Ge