data_LaMgCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgCr
_chemical_formula_sum   'La1 Mg1 Cr1'
_cell_volume   66.43
_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
  La  La1  1  0.49  0.44  0.02  1.0
  Mg  Mg2  1  0.0  0.0  0.47  1.0
  Cr  Cr0  1  1.0  0.88  0.66  1.0

data_LaMgCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgCr
_chemical_formula_sum   'La1 Mg1 Cr1'
_cell_volume   66.43
_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
  La  La0  1  0.02  0.49  0.44  1.0
  Mg  Mg1  1  0.47  0.0  0.0  1.0
  Cr  Cr2  1  0.66  1.0  0.88  1.0

La Mg Cr
La Mg Cr 0 1 o o - 0 1 o o o 0 1 + + - 0 1 + + o 0 2 - - - 0 2 - - o 0 2 o o - 0 2 o o o 0 0 o o + 1 2 - - o 