data_Mg3Cr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84
_cell_length_b   7.84
_cell_length_c   7.84
_cell_angle_alpha   96.73
_cell_angle_beta   96.73
_cell_angle_gamma   139.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Cr5
_chemical_formula_sum   'Mg6 Cr10'
_cell_volume   291.09
_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  Mg10  1  0.0  0.0  0.34  1.0
  Mg  Mg11  1  0.0  0.0  0.03  1.0
  Mg  Mg12  1  0.95  0.26  0.68  1.0
  Mg  Mg13  1  0.26  0.95  0.0  1.0
  Mg  Mg14  1  0.95  0.15  0.0  1.0
  Mg  Mg15  1  0.26  0.05  0.68  1.0
  Cr  Cr0  1  0.0  0.21  0.34  1.0
  Cr  Cr1  1  0.21  0.0  0.34  1.0
  Cr  Cr2  1  0.83  0.55  0.0  1.0
  Cr  Cr3  1  0.38  0.66  0.68  1.0
  Cr  Cr4  1  0.62  0.66  0.0  1.0
  Cr  Cr5  1  0.59  0.55  0.68  1.0
  Cr  Cr6  1  0.76  0.62  0.0  1.0
  Cr  Cr7  1  0.45  0.59  0.68  1.0
  Cr  Cr8  1  0.66  0.62  0.68  1.0
  Cr  Cr9  1  0.55  0.59  0.0  1.0

data_Mg3Cr5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.37
_cell_length_b   7.84
_cell_length_c   7.84
_cell_angle_alpha   83.27
_cell_angle_beta   69.98
_cell_angle_gamma   69.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Cr5
_chemical_formula_sum   'Mg6 Cr10'
_cell_volume   291.09
_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  Mg0  1  0.0  0.0  0.66  1.0
  Mg  Mg1  1  0.0  0.0  0.97  1.0
  Mg  Mg2  1  0.05  0.21  0.32  1.0
  Mg  Mg3  1  0.15  0.79  0.0  1.0
  Mg  Mg4  1  0.26  0.69  0.32  1.0
  Mg  Mg5  1  0.95  0.31  0.0  1.0
  Cr  Cr6  1  0.0  0.21  0.66  1.0
  Cr  Cr7  1  0.21  0.79  0.66  1.0
  Cr  Cr8  1  0.55  0.04  0.32  1.0
  Cr  Cr9  1  0.55  0.28  0.0  1.0
  Cr  Cr10  1  0.59  0.86  0.32  1.0
  Cr  Cr11  1  0.59  0.96  0.0  1.0
  Cr  Cr12  1  0.62  0.04  0.32  1.0
  Cr  Cr13  1  0.62  0.14  0.0  1.0
  Cr  Cr14  1  0.66  0.72  0.32  1.0
  Cr  Cr15  1  0.66  0.96  0.0  1.0

Mg Mg Mg Mg Mg Mg Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr