data_YMgV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   147.53
_cell_angle_beta   125.98
_cell_angle_gamma   64.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgV2
_chemical_formula_sum   'Y1 Mg1 V2'
_cell_volume   79.12
_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
  Y  Y3  1  0.59  0.0  0.6  1.0
  Mg  Mg0  1  0.0  0.0  0.42  1.0
  V  V1  1  0.59  0.0  0.37  1.0
  V  V2  1  0.0  0.0  0.05  1.0

data_YMgV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.17
_cell_length_c   5.69
_cell_angle_alpha   117.01
_cell_angle_beta   106.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgV2
_chemical_formula_sum   'Y1 Mg1 V2'
_cell_volume   79.12
_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
  Y  Y0  1  0.99  0.4  0.99  1.0
  Mg  Mg1  1  0.58  0.58  0.58  1.0
  V  V2  1  0.22  0.63  0.22  1.0
  V  V3  1  0.95  0.95  0.95  1.0

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