data_[Lu4Mn1Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9516]
_cell_length_b [4.1374]
_cell_length_c [15.7182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Lu4MnGe8]
_chemical_formula_sum '[Lu4 Mn1 Ge8]'
_cell_volume [256.9838]
_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
[
  Lu  Lu0  1  0.0000  0.0000  0.0999  1.0
  Lu  Lu1  1  0.0000  0.5000  0.6078  1.0
  Lu  Lu2  1  0.5000  0.0000  0.8962  1.0
  Lu  Lu3  1  0.5000  0.5000  0.3992  1.0
  Mn  Mn4  1  0.0000  0.0000  0.3111  1.0
  Ge  Ge5  1  0.0000  0.0000  0.4604  1.0
  Ge  Ge6  1  0.0000  0.0000  0.7491  1.0
  Ge  Ge7  1  0.0000  0.5000  0.2393  1.0
  Ge  Ge8  1  0.0000  0.5000  0.9444  1.0
  Ge  Ge9  1  0.5000  0.0000  0.2335  1.0
  Ge  Ge10  1  0.5000  0.0000  0.5674  1.0
  Ge  Ge11  1  0.5000  0.5000  0.0559  1.0
  Ge  Ge12  1  0.5000  0.5000  0.7538  1.0
]