data_[Ca4Mn2V2O12]
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 [P2_1/c]
_cell_length_a [5.4351]
_cell_length_b [5.5532]
_cell_length_c [9.2169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2MnVO6]
_chemical_formula_sum '[Ca4 Mn2 V2 O12]'
_cell_volume [226.3252]
_cell_formula_units_Z [2]
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  4  0.2406  0.0489  0.2499  1.0
  Mn  Mn1  2  0.5000  0.0000  0.0000  1.0
  V  V2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1500  0.2222  0.9559  1.0
  O  O4  4  0.2368  0.6965  0.9575  1.0
  O  O5  4  0.3341  0.0233  0.7508  1.0
]