data_[Li4Cr4P8O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.4860]
_cell_length_b [8.3180]
_cell_length_c [9.0211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [LiCrP2O7]
_chemical_formula_sum '[Li4 Cr4 P8 O28]'
_cell_volume [475.2367]
_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
[
  Li  Li0  4  0.0039  0.3034  0.4983  1
  Cr  Cr1  4  0.4987  0.1770  0.5000  1
  P  P2  4  0.2196  0.0025  0.2035  1
  P  P3  4  0.2795  0.4911  0.2971  1
  O  O4  4  0.0014  0.0167  0.7515  1
  O  O5  4  0.1229  0.4971  0.1423  1
  O  O6  4  0.2055  0.1572  0.1101  1
  O  O7  4  0.2497  0.1488  0.6118  1
  O  O8  4  0.2623  0.3562  0.8900  1
  O  O9  4  0.2776  0.3357  0.3884  1
  O  O10  4  0.3790  0.0042  0.3570  1
]