data_MgScV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   4.39
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   104.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScV2
_chemical_formula_sum   'Mg1 Sc1 V2'
_cell_volume   70.31
_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  0.89  0.0  0.68  1.0
  Sc  Sc1  1  0.47  0.2  0.36  1.0
  V  V2  1  0.46  0.0  0.21  1.0
  V  V3  1  0.2  0.2  0.17  1.0

data_MgScV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.39
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   104.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScV2
_chemical_formula_sum   'Mg1 Sc1 V2'
_cell_volume   70.31
_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  0.89  0.0  0.68  1.0
  Sc  Sc1  1  0.47  0.2  0.36  1.0
  V  V2  1  0.2  0.2  0.17  1.0
  V  V3  1  0.46  0.0  0.21  1.0

Mg Sc V V