data_MgCrGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   4.58
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   104.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCrGe2
_chemical_formula_sum   'Mg1 Cr1 Ge2'
_cell_volume   64.64
_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  0.65  0.0  0.42  1.0
  Cr  Cr0  1  0.5  0.29  0.88  1.0
  Ge  Ge1  1  0.9  0.0  0.73  1.0
  Ge  Ge2  1  0.16  0.29  0.25  1.0

data_MgCrGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.58
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   104.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCrGe2
_chemical_formula_sum   'Mg1 Cr1 Ge2'
_cell_volume   64.64
_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  0.65  0.0  0.42  1.0
  Cr  Cr1  1  0.5  0.29  0.88  1.0
  Ge  Ge2  1  0.16  0.29  0.25  1.0
  Ge  Ge3  1  0.9  0.0  0.73  1.0

Mg Cr Ge Ge