data_LiMgCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   150.63
_cell_angle_beta   131.96
_cell_angle_gamma   57.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgCr
_chemical_formula_sum   'Li1 Mg1 Cr1'
_cell_volume   46.07
_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
  Li  Li1  1  0.0  0.0  0.87  1.0
  Mg  Mg2  1  0.0  0.0  0.94  1.0
  Cr  Cr0  1  0.0  0.0  0.02  1.0

data_LiMgCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.09
_cell_length_c   5.03
_cell_angle_alpha   114.02
_cell_angle_beta   104.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgCr
_chemical_formula_sum   'Li1 Mg1 Cr1'
_cell_volume   46.07
_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
  Li  Li0  1  0.0  0.87  0.87  1.0
  Mg  Mg1  1  0.0  0.94  0.94  1.0
  Cr  Cr2  1  0.0  0.02  0.02  1.0

Li Mg Cr
Li Mg Cr 0 1 o o o 1 2 o o + 