data_MgV2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.8
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgV2P
_chemical_formula_sum   'Mg1 V2 P1'
_cell_volume   54.95
_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  0.0  0.0  1.0
  V  V2  1  0.82  0.0  0.99  1.0
  V  V3  1  0.0  0.9  0.99  1.0
  P  P1  1  0.82  0.9  0.0  1.0

data_MgV2P
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.63
_cell_length_b   3.98
_cell_length_c   3.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MgV2P
_chemical_formula_sum   'Mg1 V2 P1'
_cell_volume   54.95
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  1.0
  V  V1  1  0.0  0.0  0.9  1.0
  V  V2  1  0.82  0.0  0.0  1.0
  P  P3  1  0.82  0.0  0.9  1.0

Mg V V P
Mg V V P 0 2 o - - 1 3 o - + 