data_MgVBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   4.77
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   109.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVBr2
_chemical_formula_sum   'Mg1 V1 Br2'
_cell_volume   96.92
_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
  Mg  Mg2  1  0.94  0.0  0.53  1.0
  V  V3  1  0.38  0.39  0.12  1.0
  Br  Br0  1  0.56  0.0  0.99  1.0
  Br  Br1  1  0.15  0.39  0.64  1.0

data_MgVBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.77
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   109.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVBr2
_chemical_formula_sum   'Mg1 V1 Br2'
_cell_volume   96.92
_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
  Mg  Mg0  1  0.94  0.0  0.53  1.0
  V  V1  1  0.38  0.39  0.12  1.0
  Br  Br2  1  0.15  0.39  0.64  1.0
  Br  Br3  1  0.56  0.0  0.99  1.0

Mg V Br Br