data_[Y1Mn2Cr1]
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
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1720]
_cell_length_b [3.4912]
_cell_length_c [6.4200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [YMn2Cr]
_chemical_formula_sum '[Y1 Mn2 Cr1]'
_cell_volume [71.0964]
_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  0.0000  0.4841  1
  Mn  Mn1  1  0.0000  0.5000  0.1938  1
  Mn  Mn2  1  0.5000  0.0000  0.9834  1
  Cr  Cr3  1  0.0000  0.5000  0.8387  1
]