data_La2MgCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.21
_cell_length_b   10.21
_cell_length_c   10.21
_cell_angle_alpha   19.98
_cell_angle_beta   19.98
_cell_angle_gamma   19.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MgCr
_chemical_formula_sum   'La2 Mg1 Cr1'
_cell_volume   108.81
_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  0.0  0.0  0.05  1.0
  La  La2  1  0.0  0.0  0.97  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.01  1.0

data_La2MgCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.14
_cell_length_b   3.54
_cell_length_c   10.21
_cell_angle_alpha   90.0
_cell_angle_beta   101.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2MgCr
_chemical_formula_sum   'La4 Mg2 Cr2'
_cell_volume   217.62
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.95  1.0
  La  La1  2  0.0  0.0  0.03  1.0
  Mg  Mg2  2  0.0  0.0  0.0  1.0
  Cr  Cr3  2  -0.0  0.0  0.99  1.0

La La Mg Cr