data_[Sr1Mn1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8760]
_cell_length_b [4.2091]
_cell_length_c [7.0192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SrMnW2]
_chemical_formula_sum '[Sr1 Mn1 W2]'
_cell_volume [83.4541]
_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
[
  Sr  Sr0  1  0.2485  0.5000  0.7487  1
  Mn  Mn1  1  0.4698  0.0000  0.4186  1
  W  W2  1  0.0034  0.0000  0.0792  1
  W  W3  1  0.7783  0.5000  0.2534  1
]