data_[Mg4Cr4P8O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [P2_1/c]
_cell_length_a [7.0707]
_cell_length_b [8.4396]
_cell_length_c [9.3906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MgCrP2O7]
_chemical_formula_sum '[Mg4 Cr4 P8 O28]'
_cell_volume [526.0183]
_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
[
  Mg  Mg0  4  0.3087  0.5628  0.6849  1
  Cr  Cr1  4  0.2385  0.5679  0.1099  1
  P  P2  4  0.0699  0.2374  0.7484  1
  P  P3  4  0.4627  0.2282  0.0281  1
  O  O4  4  0.0488  0.1015  0.6360  1
  O  O5  4  0.1165  0.7420  0.7014  1
  O  O6  4  0.1216  0.1058  0.1946  1
  O  O7  4  0.2500  0.1880  0.9029  1
  O  O8  4  0.3818  0.7369  0.5540  1
  O  O9  4  0.4559  0.1110  0.6057  1
  O  O10  4  0.4992  0.0909  0.1388  1
]