data_LaMgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   131.46
_cell_angle_beta   131.46
_cell_angle_gamma   71.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgSb2
_chemical_formula_sum   'La1 Mg1 Sb2'
_cell_volume   109.51
_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  0.75  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.4  0.0  0.38  1.0
  Sb  Sb3  1  0.0  0.4  0.38  1.0

data_LaMgSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   125.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaMgSb2
_chemical_formula_sum   'La2 Mg2 Sb4'
_cell_volume   219.02
_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  0.25  0.0  0.25  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  4  0.32  0.3  0.02  1.0

La Mg Sb Sb