data_[Y1Mn2Ga2B1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9941]
_cell_length_b [3.9941]
_cell_length_c [5.5386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [YMn2Ga2B]
_chemical_formula_sum '[Y1 Mn2 Ga2 B1]'
_cell_volume [88.3562]
_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  0.0000  0.0000  0.5000  1
  Mn  Mn1  2  0.0000  0.5000  0.0000  1
  Ga  Ga2  2  0.5000  0.5000  0.2717  1
  B  B3  1  0.0000  0.0000  0.0000  1
]