data_[Mg1Mn1V4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9669]
_cell_length_b [5.2998]
_cell_length_c [7.7318]
_cell_angle_alpha [96.2743]
_cell_angle_beta [90.8308]
_cell_angle_gamma [90.2443]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgMnV4O12]
_chemical_formula_sum '[Mg1 Mn1 V4 O12]'
_cell_volume [202.2879]
_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  0.4997  0.9295  0.2838  1.0
  Mn  Mn1  1  0.0022  0.4162  0.2889  1.0
  V  V2  1  0.0063  0.0170  0.5327  1.0
  V  V3  1  0.0068  0.9848  0.9873  1.0
  V  V4  1  0.4979  0.5286  0.5341  1.0
  V  V5  1  0.5103  0.4812  0.9892  1.0
  O  O6  1  0.1084  0.0259  0.7417  1.0
  O  O7  1  0.1913  0.7152  0.4095  1.0
  O  O8  1  0.2008  0.3492  0.0445  1.0
  O  O9  1  0.2847  0.2351  0.4152  1.0
  O  O10  1  0.3083  0.8506  0.0495  1.0
  O  O11  1  0.3954  0.5375  0.7397  1.0
  O  O12  1  0.6522  0.5534  0.2104  1.0
  O  O13  1  0.6721  0.8315  0.5179  1.0
  O  O14  1  0.6926  0.2260  0.9219  1.0
  O  O15  1  0.7853  0.3322  0.5273  1.0
  O  O16  1  0.8114  0.7304  0.9308  1.0
  O  O17  1  0.8684  0.0711  0.2135  1.0
]