data_Mn2VMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.61
_cell_length_b   2.61
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VMo
_chemical_formula_sum   'Mn2 V1 Mo1'
_cell_volume   51.51
_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
  Mn  Mn0  1  0.31  0.31  0.22  1.0
  Mn  Mn1  1  0.0  0.0  0.57  1.0
  V  V3  1  0.0  0.0  0.89  1.0
  Mo  Mo2  1  0.31  0.31  0.64  1.0

data_Mn2VMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2VMo
_chemical_formula_sum   'Mn4 V2 Mo2'
_cell_volume   103.02
_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
  Mn  Mn0  2  0.0  0.0  0.57  1.0
  Mn  Mn1  2  0.31  0.0  0.22  1.0
  V  V2  2  0.0  0.0  0.89  1.0
  Mo  Mo3  2  0.31  0.0  0.64  1.0

Mn Mn V Mo