data_[Lu3Mn1Co2]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2663]
_cell_length_b [3.2663]
_cell_length_c [10.2387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Lu3MnCo2]
_chemical_formula_sum '[Lu3 Mn1 Co2]'
_cell_volume [109.2352]
_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  0.0000  0.3176  1.0
  Lu  Lu1  1  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  1  0.5000  0.5000  0.5000  1.0
  Co  Co3  2  0.5000  0.5000  0.1621  1.0
]