data_[Ba8Ca4Mn4V8F56]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9994]
_cell_length_b [5.4755]
_cell_length_c [15.2956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2CaMnV2F14]
_chemical_formula_sum '[Ba8 Ca4 Mn4 V8 F56]'
_cell_volume [1172.0303]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  8  0.1895  0.4558  0.1227  1
  Ca  Ca1  4  0.0000  0.0485  0.7500  1
  Mn  Mn2  4  0.0000  0.0000  0.0000  1
  V  V3  8  0.1208  0.4980  0.8765  1
  F  F4  8  0.0091  0.3975  0.6564  1
  F  F5  8  0.0570  0.0939  0.1226  1
  F  F6  8  0.0853  0.3209  0.4839  1
  F  F7  8  0.1240  0.2187  0.2972  1
  F  F8  8  0.1302  0.2017  0.9531  1
  F  F9  8  0.1628  0.2869  0.7770  1
  F  F10  8  0.2474  0.0602  0.5900  1
]