data_[Y1Lu1Mn2Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Lu  1.2700  1.7500  1.0010
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9064]
_cell_length_b [3.9064]
_cell_length_c [6.9685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [YLu(MnSi)2]
_chemical_formula_sum '[Y1 Lu1 Mn2 Si2]'
_cell_volume [106.3390]
_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
[
  Y  Y0  1  0.5000  0.5000  0.6628  1
  Lu  Lu1  1  0.0000  0.0000  0.3274  1
  Mn  Mn2  2  0.0000  0.5000  0.0028  1
  Si  Si3  1  0.0000  0.0000  0.7934  1
  Si  Si4  1  0.5000  0.5000  0.2109  1
]