data_[Li7Mn4Co1O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0269]
_cell_length_b [5.0965]
_cell_length_c [8.9343]
_cell_angle_alpha [104.3026]
_cell_angle_beta [92.2879]
_cell_angle_gamma [100.6230]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li7Mn4CoO12]
_chemical_formula_sum '[Li7 Mn4 Co1 O12]'
_cell_volume [217.1184]
_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
[
  Li  Li0  1  0.0007  0.9987  0.3329  1
  Li  Li1  1  0.2432  0.5026  0.2593  1
  Li  Li2  1  0.2441  0.5115  0.9285  1
  Li  Li3  1  0.2546  0.4803  0.5613  1
  Li  Li4  1  0.7521  0.4956  0.7442  1
  Li  Li5  1  0.7522  0.5054  0.0887  1
  Li  Li6  1  0.7601  0.5002  0.4180  1
  Mn  Mn7  1  0.0014  0.9949  0.6571  1
  Mn  Mn8  1  0.5006  0.9926  0.4892  1
  Mn  Mn9  1  0.5021  0.0010  0.8361  1
  Mn  Mn10  1  0.9955  0.0053  0.0088  1
  Co  Co11  1  0.4890  0.0097  0.1764  1
  O  O12  1  0.1254  0.7919  0.8087  1
  O  O13  1  0.1353  0.7750  0.1177  1
  O  O14  1  0.1507  0.7568  0.4592  1
  O  O15  1  0.3535  0.2350  0.0518  1
  O  O16  1  0.3776  0.2126  0.6948  1
  O  O17  1  0.3920  0.2341  0.3795  1
  O  O18  1  0.6047  0.7858  0.3009  1
  O  O19  1  0.6373  0.7661  0.9532  1
  O  O20  1  0.6394  0.7680  0.6154  1
  O  O21  1  0.8599  0.2137  0.1873  1
  O  O22  1  0.8639  0.2323  0.5476  1
  O  O23  1  0.8649  0.2310  0.8833  1
]