data_[Lu1Sc3Mn4Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Sc  1.3600  1.6000  0.8850
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.6134]
_cell_length_b [3.9104]
_cell_length_c [7.4553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LuSc3(MnSi)4]
_chemical_formula_sum '[Lu1 Sc3 Mn4 Si4]'
_cell_volume [192.7865]
_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  0.5210  0.0000  0.8182  1.0
  Sc  Sc1  1  0.0208  0.0000  0.6782  1.0
  Sc  Sc2  1  0.4807  0.5000  0.1860  1.0
  Sc  Sc3  1  0.9839  0.5000  0.3176  1.0
  Mn  Mn4  1  0.1357  0.0000  0.0565  1.0
  Mn  Mn5  1  0.3589  0.5000  0.5545  1.0
  Mn  Mn6  1  0.6415  0.0000  0.4404  1.0
  Mn  Mn7  1  0.8564  0.5000  0.9477  1.0
  Si  Si8  1  0.2150  0.5000  0.8803  1.0
  Si  Si9  1  0.2802  0.0000  0.3767  1.0
  Si  Si10  1  0.7266  0.5000  0.6138  1.0
  Si  Si11  1  0.7792  0.0000  0.1302  1.0
]