data_MgCoGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04
_cell_length_b   8.04
_cell_length_c   8.04
_cell_angle_alpha   22.02
_cell_angle_beta   22.02
_cell_angle_gamma   22.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCoGe2
_chemical_formula_sum   'Mg1 Co1 Ge2'
_cell_volume   64.07
_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  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.77  1.0
  Ge  Ge1  1  0.0  0.0  0.95  1.0
  Ge  Ge2  1  0.0  0.0  0.58  1.0

data_MgCoGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.32
_cell_length_b   3.07
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   102.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgCoGe2
_chemical_formula_sum   'Mg2 Co2 Ge4'
_cell_volume   128.15
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.0  0.0  0.23  1.0
  Ge  Ge2  2  0.0  0.0  0.05  1.0
  Ge  Ge3  2  0.0  0.0  0.42  1.0

Mg Co Ge Ge
Mg Co Ge Ge 0 2 o o - 1 3 o o o 1 2 o o o 