data_KMgV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   2.62
_cell_angle_alpha   99.13
_cell_angle_beta   99.13
_cell_angle_gamma   123.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgV2
_chemical_formula_sum   'K1 Mg1 V2'
_cell_volume   79.96
_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
  K  K0  1  0.95  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.04  0.74  0.24  1.0
  V  V3  1  0.04  0.26  0.24  1.0

data_KMgV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   5.6
_cell_length_c   6.23
_cell_angle_alpha   115.16
_cell_angle_beta   99.13
_cell_angle_gamma   96.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgV2
_chemical_formula_sum   'K1 Mg1 V2'
_cell_volume   79.96
_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
  K  K0  1  0.0  0.0  0.95  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.49  0.26  0.29  1.0
  V  V3  1  0.98  0.74  0.78  1.0

K Mg V V