data_[Lu10S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5345]
_cell_length_b [3.7226]
_cell_length_c [11.4029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Lu5S7]
_chemical_formula_sum '[Lu10 S14]'
_cell_volume [515.2227]
_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
[
  Lu  Lu0  4  0.1121  0.0000  0.4215  1.0
  Lu  Lu1  4  0.2001  0.5000  0.8132  1.0
  Lu  Lu2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0410  0.0000  0.7851  1.0
  S  S4  4  0.1590  0.5000  0.0512  1.0
  S  S5  4  0.2411  0.5000  0.3533  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]