data_[Mg1Mn1V4Cu1O12]
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
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8820]
_cell_length_b [6.9210]
_cell_length_c [6.9264]
_cell_angle_alpha [79.4350]
_cell_angle_beta [73.1748]
_cell_angle_gamma [73.5871]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgMnV4CuO12]
_chemical_formula_sum '[Mg1 Mn1 V4 Cu1 O12]'
_cell_volume [257.3126]
_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  0.2565  0.7234  0.2644  1.0
  Mn  Mn1  1  0.7390  0.9318  0.0745  1.0
  V  V2  1  0.2185  0.1855  0.4016  1.0
  V  V3  1  0.2777  0.6091  0.8043  1.0
  V  V4  1  0.7130  0.3899  0.2071  1.0
  V  V5  1  0.7833  0.7936  0.6120  1.0
  Cu  Cu6  1  0.2441  0.0999  0.9171  1.0
  O  O7  1  0.1018  0.6687  0.6100  1.0
  O  O8  1  0.1550  0.7713  0.9956  1.0
  O  O9  1  0.2411  0.0812  0.6388  1.0
  O  O10  1  0.2823  0.3735  0.9128  1.0
  O  O11  1  0.3372  0.0016  0.2119  1.0
  O  O12  1  0.3927  0.3992  0.3303  1.0
  O  O13  1  0.5844  0.6245  0.6709  1.0
  O  O14  1  0.6671  0.6404  0.1013  1.0
  O  O15  1  0.6837  0.9714  0.7747  1.0
  O  O16  1  0.8281  0.2162  0.0346  1.0
  O  O17  1  0.8342  0.8868  0.3608  1.0
  O  O18  1  0.9102  0.3420  0.3674  1.0
]