data_[Ca3Mn6V9O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [R3m]
_cell_length_a [6.2099]
_cell_length_b [6.2099]
_cell_length_c [15.5365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CaMn2V3O8]
_chemical_formula_sum '[Ca3 Mn6 V9 O24]'
_cell_volume [518.8556]
_cell_formula_units_Z [3]
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
[
  Ca  Ca0  3  0.0000  0.0000  0.8743  1.0
  Mn  Mn1  3  0.0000  0.0000  0.1228  1.0
  Mn  Mn2  3  0.0000  0.0000  0.5005  1.0
  V  V3  9  0.0007  0.5004  0.9997  1.0
  O  O4  9  0.0405  0.5202  0.2644  1.0
  O  O5  9  0.1809  0.8191  0.0713  1.0
  O  O6  3  0.0000  0.0000  0.2588  1.0
  O  O7  3  0.0000  0.0000  0.7299  1.0
]