data_[Mg1V4P4O20]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3238]
_cell_length_b [7.5076]
_cell_length_c [10.3311]
_cell_angle_alpha [68.9951]
_cell_angle_beta [88.6630]
_cell_angle_gamma [70.2423]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgV4(PO5)4]
_chemical_formula_sum '[Mg1 V4 P4 O20]'
_cell_volume [360.5377]
_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  0.5726  0.6787  0.2769  1
  V  V1  1  0.0199  0.0577  0.2256  1
  V  V2  1  0.5122  0.0151  0.7450  1
  V  V3  1  0.9465  0.5293  0.9701  1
  V  V4  1  0.9688  0.5028  0.6039  1
  P  P5  1  0.3169  0.7681  0.0279  1
  P  P6  1  0.3441  0.7800  0.5483  1
  P  P7  1  0.6038  0.2380  0.9576  1
  P  P8  1  0.7142  0.2417  0.4444  1
  O  O9  1  0.0552  0.2820  0.1608  1
  O  O10  1  0.1031  0.7091  0.5928  1
  O  O11  1  0.1203  0.6549  0.0586  1
  O  O12  1  0.2173  0.2762  0.6825  1
  O  O13  1  0.2648  0.8900  0.1288  1
  O  O14  1  0.2858  0.9065  0.8735  1
  O  O15  1  0.3054  0.3765  0.9316  1
  O  O16  1  0.3352  0.8540  0.3843  1
  O  O17  1  0.3507  0.9406  0.6025  1
  O  O18  1  0.4775  0.4341  0.3752  1
  O  O19  1  0.6013  0.5855  0.6118  1
  O  O20  1  0.6168  0.6266  0.0810  1
  O  O21  1  0.6529  0.0916  0.8770  1
  O  O22  1  0.6961  0.0987  0.1162  1
  O  O23  1  0.7061  0.1331  0.6019  1
  O  O24  1  0.7896  0.3627  0.9075  1
  O  O25  1  0.7948  0.7455  0.8235  1
  O  O26  1  0.7963  0.0823  0.3769  1
  O  O27  1  0.9246  0.5275  0.4122  1
  O  O28  1  0.9823  0.3128  0.4270  1
]