data_MgMn2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   5.25
_cell_angle_alpha   95.04
_cell_angle_beta   95.04
_cell_angle_gamma   35.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2V
_chemical_formula_sum   'Mg1 Mn2 V1'
_cell_volume   59.76
_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
  Mn  Mn1  1  0.74  0.0  0.76  1.0
  Mn  Mn2  1  0.23  0.0  0.47  1.0
  V  V3  1  0.99  0.0  0.61  1.0

data_MgMn2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.44
_cell_length_c   5.25
_cell_angle_alpha   95.04
_cell_angle_beta   90.0
_cell_angle_gamma   107.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2V
_chemical_formula_sum   'Mg1 Mn2 V1'
_cell_volume   59.76
_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
  Mn  Mn1  1  0.0  0.26  0.24  1.0
  Mn  Mn2  1  0.0  0.77  0.53  1.0
  V  V3  1  0.0  0.01  0.39  1.0

Mg Mn Mn V