data_[Lu2Mn1Nb1Si2]
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
  Nb  1.6000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.8407]
_cell_length_b [3.8407]
_cell_length_c [7.3706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Lu2MnNbSi2]
_chemical_formula_sum '[Lu2 Mn1 Nb1 Si2]'
_cell_volume [108.7209]
_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  2  0.0000  0.5000  0.6474  1
  Mn  Mn1  1  0.0000  0.0000  0.0000  1
  Nb  Nb2  1  0.5000  0.5000  0.0000  1
  Si  Si3  2  0.0000  0.5000  0.2372  1
]