data_[K4Mn1Si2O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1293]
_cell_length_b [6.6099]
_cell_length_c [6.8285]
_cell_angle_alpha [111.6128]
_cell_angle_beta [101.0549]
_cell_angle_gamma [104.6303]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K4MnSi2O7]
_chemical_formula_sum '[K4 Mn1 Si2 O7]'
_cell_volume [236.0600]
_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
[
  K  K0  2  0.0877  0.5513  0.7890  1
  K  K1  2  0.3091  0.0660  0.7199  1
  Mn  Mn2  1  0.5000  0.5000  0.5000  1
  Si  Si3  2  0.2183  0.0635  0.2239  1
  O  O4  2  0.1703  0.2520  0.4372  1
  O  O5  2  0.2202  0.8264  0.2392  1
  O  O6  2  0.4698  0.2211  0.2131  1
  O  O7  1  0.0000  0.0000  0.0000  1
]