data_MgTa2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTa2V
_chemical_formula_sum   'Mg1 Ta2 V1'
_cell_volume   71.5
_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  0.0  0.81  1.0
  Ta  Ta1  1  0.65  0.65  0.19  1.0
  Ta  Ta2  1  0.0  0.0  0.73  1.0
  V  V3  1  0.65  0.65  0.07  1.0

data_MgTa2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTa2V
_chemical_formula_sum   'Mg2 Ta4 V2'
_cell_volume   143.0
_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
  Mg  Mg0  2  0.0  0.0  0.81  1.0
  Ta  Ta1  2  0.0  0.0  0.73  1.0
  Ta  Ta2  2  0.15  0.5  0.19  1.0
  V  V3  2  0.15  0.5  0.07  1.0

Mg Ta Ta V
Mg Ta Ta V 0 2 o o o 1 3 o o o 