data_Mg5Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   7.35
_cell_angle_alpha   104.06
_cell_angle_beta   104.06
_cell_angle_gamma   30.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Cr
_chemical_formula_sum   'Mg5 Cr1'
_cell_volume   127.76
_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  Mg1  1  0.59  0.0  0.79  1.0
  Mg  Mg2  1  0.94  0.0  0.31  1.0
  Mg  Mg3  1  0.56  0.0  0.2  1.0
  Mg  Mg4  1  0.05  0.0  0.73  1.0
  Mg  Mg5  1  0.1  0.0  0.38  1.0
  Cr  Cr0  1  0.53  0.0  0.11  1.0

data_Mg5Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.91
_cell_length_c   7.35
_cell_angle_alpha   104.06
_cell_angle_beta   90.0
_cell_angle_gamma   105.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Cr
_chemical_formula_sum   'Mg5 Cr1'
_cell_volume   127.76
_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  0.06  0.69  1.0
  Mg  Mg1  1  0.0  0.41  0.21  1.0
  Mg  Mg2  1  0.0  0.44  0.8  1.0
  Mg  Mg3  1  0.0  0.9  0.62  1.0
  Mg  Mg4  1  0.0  0.95  0.27  1.0
  Cr  Cr5  1  0.0  0.47  0.89  1.0

Mg Mg Mg Mg Mg Cr