# AFLOW CIF FILE
# AFLOW.org Repositories
# ANRL - DUKE UNIVERSITY
# Part 1 (2017) doi: 10.1016/j.commatsci.2017.01.017
# Part 2 (2018) doi: 10.1016/j.commatsci.2018.10.043
# Part 3 (2021) doi: 10.1016/j.commatsci.2021.110450
# Part 4 (2024) doi: 10.1016/j.commatsci.2024.112988

# Chemical Composition:  MnB10H10

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A10B10C_hP63_171_5c_5c_b-001 

# Last updated on 2026/02/17

data_MnB10H10
_pd_phase_name MnB10H10
_cell_length_a  6.9012000000
_cell_length_b  6.9012000000
_cell_length_c  14.7822000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P6_{2}'
_symmetry_Int_Tables_Number  171
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -y,x-y,z+2/3
  3  -x+y,-x,z+1/3
  4  -x,-y,z
  5  y,-x+y,z+2/3
  6  x-y,x,z+1/3
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_label
Mn1 1.0000000000 0.5000000000 0.5000000000 0.1772100000  Biso 1.0 Mn 3 b
B2  1.0000000000 0.8604000000 0.5014000000 0.8356000000  Biso 1.0 B  6 c
B3  1.0000000000 0.8857000000 0.2662000000 0.7910000000  Biso 1.0 B  6 c
B4  1.0000000000 0.8806000000 0.3585000000 0.6754000000  Biso 1.0 B  6 c
B5  1.0000000000 0.8560000000 0.5955000000 0.7203000000  Biso 1.0 B  6 c
B6  1.0000000000 0.6856000000 0.3246000000 0.7541000000  Biso 1.0 B  6 c
H7  1.0000000000 0.7876000000 0.5244000000 0.8994000000  Biso 1.0 H  6 c
H8  1.0000000000 0.8376000000 0.0964000000 0.8183000000  Biso 1.0 H  6 c
H9  1.0000000000 0.8227000000 0.2649000000 0.6101000000  Biso 1.0 H  6 c
H10 1.0000000000 0.7797000000 0.6916000000 0.6940000000  Biso 1.0 H  6 c
H11 1.0000000000 0.4986000000 0.2220000000 0.7526000000  Biso 1.0 H  6 c
