data_LaYMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   6.7
_cell_length_c   6.7
_cell_angle_alpha   63.27
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYMg6
_chemical_formula_sum   'La1 Y1 Mg6'
_cell_volume   209.68
_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  0.62  0.0  0.84  1.0
  Y  Y1  1  0.0  0.0  0.28  1.0
  Mg  Mg2  1  0.0  0.93  0.52  1.0
  Mg  Mg3  1  0.0  0.07  0.52  1.0
  Mg  Mg4  1  0.0  0.0  0.72  1.0
  Mg  Mg5  1  0.62  0.6  0.9  1.0
  Mg  Mg6  1  0.62  0.4  0.9  1.0
  Mg  Mg7  1  0.62  0.0  0.93  1.0

data_LaYMg6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.24
_cell_length_b   6.7
_cell_length_c   6.7
_cell_angle_alpha   116.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYMg6
_chemical_formula_sum   'La1 Y1 Mg6'
_cell_volume   209.68
_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  0.38  0.0  0.16  1.0
  Y  Y1  1  0.0  0.0  0.72  1.0
  Mg  Mg2  1  -0.0  0.93  0.48  1.0
  Mg  Mg3  1  0.0  0.0  0.28  1.0
  Mg  Mg4  1  0.0  0.07  0.48  1.0
  Mg  Mg5  1  0.38  0.0  0.07  1.0
  Mg  Mg6  1  0.38  0.4  0.1  1.0
  Mg  Mg7  1  0.38  0.6  0.1  1.0

La Y Mg Mg Mg Mg Mg Mg