data_[Mn1Co2As1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.7489]
_cell_length_b [4.0074]
_cell_length_c [4.5899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [MnCo2As]
_chemical_formula_sum '[Mn1 Co2 As1]'
_cell_volume [50.3727]
_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  1  0.5000  0.5000  0.0000  1
  Co  Co1  2  0.1898  0.0000  0.2482  1
  As  As2  1  0.0000  0.5000  0.5000  1
]