data_[Mn5V1Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8361]
_cell_length_b [2.8361]
_cell_length_c [16.3223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Mn5VGa4]
_chemical_formula_sum '[Mn5 V1 Ga4]'
_cell_volume [131.2906]
_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
[
  Mn  Mn0  2  0.5000  0.5000  0.0864  1
  Mn  Mn1  2  0.5000  0.5000  0.2861  1
  Mn  Mn2  1  0.5000  0.5000  0.5000  1
  V  V3  1  0.0000  0.0000  0.0000  1
  Ga  Ga4  2  0.0000  0.0000  0.1830  1
  Ga  Ga5  2  0.0000  0.0000  0.3925  1
]