data_Mg2CrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   4.59
_cell_angle_alpha   114.78
_cell_angle_beta   114.78
_cell_angle_gamma   33.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrNi
_chemical_formula_sum   'Mg2 Cr1 Ni1'
_cell_volume   65.76
_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  0.03  0.0  0.03  1.0
  Mg  Mg2  1  0.85  0.0  0.96  1.0
  Cr  Cr0  1  0.48  0.0  0.14  1.0
  Ni  Ni3  1  0.03  0.0  0.05  1.0

data_Mg2CrNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.59
_cell_length_c   5.36
_cell_angle_alpha   114.78
_cell_angle_beta   106.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrNi
_chemical_formula_sum   'Mg2 Cr1 Ni1'
_cell_volume   65.76
_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  0.03  0.03  1.0
  Mg  Mg1  1  0.0  0.96  0.85  1.0
  Cr  Cr2  1  0.0  0.14  0.48  1.0
  Ni  Ni3  1  0.0  0.05  0.03  1.0

Mg Mg Cr Ni