data_MgCo2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.17
_cell_angle_alpha   109.45
_cell_angle_beta   109.45
_cell_angle_gamma   36.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo2Ge
_chemical_formula_sum   'Mg1 Co2 Ge1'
_cell_volume   52.52
_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  Mg3  1  0.46  0.0  0.85  1.0
  Co  Co0  1  0.94  0.0  0.05  1.0
  Co  Co1  1  0.23  0.0  0.8  1.0
  Ge  Ge2  1  0.92  0.0  0.15  1.0

data_MgCo2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.17
_cell_length_c   4.78
_cell_angle_alpha   109.45
_cell_angle_beta   108.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo2Ge
_chemical_formula_sum   'Mg1 Co2 Ge1'
_cell_volume   52.52
_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  0.85  0.46  1.0
  Co  Co1  1  0.0  0.05  0.94  1.0
  Co  Co2  1  0.0  0.8  0.23  1.0
  Ge  Ge3  1  0.0  0.15  0.92  1.0

Mg Co Co Ge