data_[K2Mn4Be2]
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
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.8408]
_cell_length_b [2.7935]
_cell_length_c [7.0278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KMn2Be]
_chemical_formula_sum '[K2 Mn4 Be2]'
_cell_volume [153.1033]
_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  0.2555  0.5000  0.2565  1
  Mn  Mn1  2  0.2420  0.0000  0.7540  1
  Mn  Mn2  2  0.4772  0.5000  0.8695  1
  Be  Be3  2  0.0252  0.5000  0.6200  1
]