data_MgCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCr
_chemical_formula_sum   'Mg2 Cr2'
_cell_volume   105.15
_cell_formula_units_Z   2
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  0.33  0.35  0.18  1.0
  Mg  Mg3  1  0.0  0.69  0.39  1.0
  Cr  Cr0  1  0.33  0.35  0.39  1.0
  Cr  Cr1  1  0.0  0.69  0.18  1.0

data_MgCr
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   8.08
_cell_length_b   4.67
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   MgCr
_chemical_formula_sum   'Mg4 Cr4'
_cell_volume   210.31
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x+1/413, -y, -z'
  3  '-x+1/413, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+311/619, -y+1/2, -z'
  7  '-x+311/619, y+1/2, -z'
  8  '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  4  0.17  0.0  0.89  1.0
  Cr  Cr1  4  0.17  0.0  0.11  1.0

Mg Mg Cr Cr