data_LaMg2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   3.22
_cell_angle_alpha   103.08
_cell_angle_beta   103.08
_cell_angle_gamma   127.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2Co
_chemical_formula_sum   'La1 Mg2 Co1'
_cell_volume   88.52
_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  0.81  0.0  0.0  1.0
  Mg  Mg2  1  0.58  0.15  0.38  1.0
  Mg  Mg3  1  0.58  0.85  0.38  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_LaMg2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.83
_cell_length_c   6.36
_cell_angle_alpha   111.23
_cell_angle_beta   103.08
_cell_angle_gamma   94.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2Co
_chemical_formula_sum   'La1 Mg2 Co1'
_cell_volume   88.52
_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  0.0  0.0  0.81  1.0
  Mg  Mg1  1  0.24  0.85  0.43  1.0
  Mg  Mg2  1  0.53  0.15  0.73  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

La Mg Mg Co
La Mg Mg Co 0 3 + o o 0 2 o - o 0 2 o - - 1 2 o - o 