data_[K2Mn2As4S14]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.9532]
_cell_length_b [10.1018]
_cell_length_c [6.4066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KMnAs2S7]
_chemical_formula_sum '[K2 Mn2 As4 S14]'
_cell_volume [573.3384]
_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
[
  K  K0  2  0.0000  0.1025  0.0000  1
  Mn  Mn1  2  0.0000  0.4942  0.5000  1
  As  As2  4  0.2052  0.8422  0.5720  1
  S  S3  4  0.1458  0.4766  0.2251  1
  S  S4  4  0.1513  0.6663  0.7338  1
  S  S5  4  0.1776  0.3343  0.7000  1
  S  S6  2  0.0000  0.9799  0.5000  1
]