data_Mg2CrGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   4.48
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   103.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrGe
_chemical_formula_sum   'Mg2 Cr1 Ge1'
_cell_volume   66.06
_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  0.4  0.24  0.94  1.0
  Mg  Mg3  1  0.17  0.24  0.26  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.36  0.0  0.6  1.0

data_Mg2CrGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.48
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   103.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrGe
_chemical_formula_sum   'Mg2 Cr1 Ge1'
_cell_volume   66.06
_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  0.17  0.24  0.26  1.0
  Mg  Mg1  1  0.4  0.24  0.94  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.36  0.0  0.6  1.0

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