data_Mg2CrGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   133.98
_cell_angle_beta   133.98
_cell_angle_gamma   67.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrGe
_chemical_formula_sum   'Mg2 Cr1 Ge1'
_cell_volume   63.86
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Mg  Mg3  1  0.96  0.0  0.09  1.0
  Cr  Cr0  1  0.0  0.0  0.17  1.0
  Ge  Ge1  1  0.0  0.96  0.09  1.0

data_Mg2CrGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   5.01
_cell_angle_alpha   113.01
_cell_angle_beta   113.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrGe
_chemical_formula_sum   'Mg2 Cr1 Ge1'
_cell_volume   63.86
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.09  0.13  0.13  1.0
  Cr  Cr2  1  0.17  0.17  0.17  1.0
  Ge  Ge3  1  0.13  0.09  0.13  1.0

Mg Mg Cr Ge
Mg Mg Cr Ge 0 1 - o o 0 3 o - o 1 3 + - o 1 2 + o o 2 3 o - o 