data_Mg2VSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   145.35
_cell_angle_beta   135.75
_cell_angle_gamma   57.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VSe
_chemical_formula_sum   'Mg2 V1 Se1'
_cell_volume   76.95
_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  0.0  0.19  0.25  1.0
  Mg  Mg1  1  0.73  0.0  0.84  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.0  0.09  1.0

data_Mg2VSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.37
_cell_length_c   5.8
_cell_angle_alpha   112.13
_cell_angle_beta   107.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VSe
_chemical_formula_sum   'Mg2 V1 Se1'
_cell_volume   76.95
_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  0.0  0.84  0.11  1.0
  Mg  Mg1  1  0.81  0.06  0.06  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.09  0.09  1.0

Mg Mg V Se