data_[Mg1V4As2O13]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1947]
_cell_length_b [5.3724]
_cell_length_c [8.9026]
_cell_angle_alpha [97.3112]
_cell_angle_beta [90.2621]
_cell_angle_gamma [99.8421]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgV4As2O13]
_chemical_formula_sum '[Mg1 V4 As2 O13]'
_cell_volume [242.7225]
_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  0.5571  0.8070  0.1892  1.0
  V  V1  1  0.1324  0.0649  0.3608  1.0
  V  V2  1  0.4813  0.5227  0.9079  1.0
  V  V3  1  0.7337  0.4067  0.2924  1.0
  V  V4  1  0.9664  0.2505  0.6787  1.0
  As  As5  1  0.0526  0.0038  0.0062  1.0
  As  As6  1  0.4345  0.7719  0.5793  1.0
  O  O7  1  0.0355  0.2095  0.1757  1.0
  O  O8  1  0.1731  0.1932  0.8686  1.0
  O  O9  1  0.2349  0.0005  0.5663  1.0
  O  O10  1  0.2435  0.7792  0.0283  1.0
  O  O11  1  0.2891  0.5656  0.7051  1.0
  O  O12  1  0.4474  0.6054  0.4021  1.0
  O  O13  1  0.4767  0.1040  0.3093  1.0
  O  O14  1  0.5738  0.4483  0.1010  1.0
  O  O15  1  0.7309  0.8752  0.9771  1.0
  O  O16  1  0.7343  0.9075  0.6552  1.0
  O  O17  1  0.7455  0.4005  0.7771  1.0
  O  O18  1  0.9244  0.7732  0.3019  1.0
  O  O19  1  0.9380  0.3001  0.4683  1.0
]