data_LaMgBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48
_cell_length_b   7.48
_cell_length_c   7.48
_cell_angle_alpha   151.58
_cell_angle_beta   140.67
_cell_angle_gamma   49.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgBr2
_chemical_formula_sum   'La1 Mg1 Br2'
_cell_volume   125.87
_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  La2  1  0.84  0.0  0.59  1.0
  Mg  Mg3  1  0.0  0.0  0.66  1.0
  Br  Br0  1  0.84  0.0  0.08  1.0
  Br  Br1  1  0.0  0.0  0.08  1.0

data_LaMgBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   5.04
_cell_length_c   7.48
_cell_angle_alpha   109.67
_cell_angle_beta   104.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMgBr2
_chemical_formula_sum   'La1 Mg1 Br2'
_cell_volume   125.87
_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  0.59  0.76  1.0
  Mg  Mg1  1  0.0  0.66  0.66  1.0
  Br  Br2  1  0.0  0.08  0.24  1.0
  Br  Br3  1  0.0  0.08  0.08  1.0

La Mg Br Br